TL;DR: 1-(5-((2-Morpholinoethyl)thio)-1,3,4-thiadiazol-2-yl)-3-(thiophen-2-yl)urea (CAS 1001829-14-6) is a chemical compound with molecular formula C13H17N5O2S3 and molecular weight 371.05444 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[5-(2-morpholin-4-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-thiophen-2-ylurea
Also Known As: 3-(5-{[2-(morpholin-4-yl)ethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-1-(thiophen-2-yl)urea, F2680-0853, 1-(5-((2-morpholinoethyl)thio)-1,3,4-thiadiazol-2-yl)-3-(thiophen-2-yl)urea, 1-[5-(2-morpholin-4-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-thiophen-2-ylurea, 1-[5-(2-morpholin-4-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-thiophen-2-yl-urea
| Molecular Formula | C13H17N5O2S3 |
| Molecular Weight | 371.05444 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 161.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 371.05444 Da |
| Heavy Atoms | 23 |
| Complexity | 387.0 |
| SMILES | C1COCCN1CCSC2=NN=C(S2)NC(=O)NC3=CC=CS3 |
| InChIKey | WSBSSVJKUPONFN-UHFFFAOYSA-N |
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(5-((2-Morpholinoethyl)thio)-1,3,4-thiadiazol-2-yl)-3-(thiophen-2-yl)urea. The TPSA of 161.0 Ų indicates high polarity, suggesting 1-(5-((2-Morpholinoethyl)thio)-1,3,4-thiadiazol-2-yl)-3-(thiophen-2-yl)urea may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-(5-((2-Morpholinoethyl)thio)-1,3,4-thiadiazol-2-yl)-3-(thiophen-2-yl)urea has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1-(5-((2-Morpholinoethyl)thio)-1,3,4-thiadiazol-2-yl)-3-(thiophen-2-yl)urea is 1001829-14-6.
The molecular formula of 1-(5-((2-Morpholinoethyl)thio)-1,3,4-thiadiazol-2-yl)-3-(thiophen-2-yl)urea is C13H17N5O2S3.
The molecular weight of 1-(5-((2-Morpholinoethyl)thio)-1,3,4-thiadiazol-2-yl)-3-(thiophen-2-yl)urea is 371.05444 g/mol.
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