TL;DR: Urea, N-(2-(2-((aminoiminomethyl)amino)-6,7-dihydrothiazolo(5,4-c)pyridin-5(4H)-yl)ethyl)-N'-(1-methylethyl)- (CAS 118618-56-7) is a chemical compound with molecular formula C13H23N7OS and molecular weight 325.1685 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[2-[2-(diaminomethylideneamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]ethyl]-3-propan-2-ylurea
Also Known As: Urea, N-(2-(2-((aminoiminomethyl)amino)-6,7-dihydrothiazolo(5,4-c)pyridin-5(4H)-yl)ethyl)-N'-(1-methylethyl)-, 2-Guanidino-5-(2'-(N-isopropyl-carbamoylamino)ethyl)-4,5,6,7-tetrahydrothiazolo(5,4-c)pyridine, 1-[2-[2-(diaminomethylideneamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]ethyl]-3-propan-2-ylurea, N-(2-{2-[(Diaminomethylidene)amino]-6,7-dihydro[1,3]thiazolo[5,4-c]pyridin-5(4H)-yl}ethyl)-N'-(propan-2-yl)urea
| Molecular Formula | C13H23N7OS |
| Molecular Weight | 325.1685 g/mol |
| XLogP | -0.3 |
| Topological Polar Surface Area (TPSA) | 150.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 325.1685 Da |
| Heavy Atoms | 22 |
| Complexity | 413.0 |
| SMILES | CC(C)NC(=O)NCCN1CCC2=C(C1)SC(=N2)N=C(N)N |
| InChIKey | IMVWSNKQMHWFDU-UHFFFAOYSA-N |
The XLogP value of -0.3 indicates that Urea, N-(2-(2-((aminoiminomethyl)amino)-6,7-dihydrothiazolo(5,4-c)pyridin-5(4H)-yl)ethyl)-N'-(1-methylethyl)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 150.0 Ų indicates high polarity, suggesting Urea, N-(2-(2-((aminoiminomethyl)amino)-6,7-dihydrothiazolo(5,4-c)pyridin-5(4H)-yl)ethyl)-N'-(1-methylethyl)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Urea, N-(2-(2-((aminoiminomethyl)amino)-6,7-dihydrothiazolo(5,4-c)pyridin-5(4H)-yl)ethyl)-N'-(1-methylethyl)- has 4 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Urea, N-(2-(2-((aminoiminomethyl)amino)-6,7-dihydrothiazolo(5,4-c)pyridin-5(4H)-yl)ethyl)-N'-(1-methylethyl)- is 118618-56-7.
The molecular formula of Urea, N-(2-(2-((aminoiminomethyl)amino)-6,7-dihydrothiazolo(5,4-c)pyridin-5(4H)-yl)ethyl)-N'-(1-methylethyl)- is C13H23N7OS.
The molecular weight of Urea, N-(2-(2-((aminoiminomethyl)amino)-6,7-dihydrothiazolo(5,4-c)pyridin-5(4H)-yl)ethyl)-N'-(1-methylethyl)- is 325.1685 g/mol.
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