TL;DR: 3-{5-[(carbamoylmethyl)sulfanyl]-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-2-yl}-N-[(thiophen-2-yl)methyl]propanamide (CAS 1028070-51-0) is a chemical compound with molecular formula C20H19N5O3S2 and molecular weight 441.09293 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[5-(2-amino-2-oxoethyl)sulfanyl-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(thiophen-2-ylmethyl)propanamide
Also Known As: 3-{5-[(carbamoylmethyl)sulfanyl]-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-2-yl}-N-[(thiophen-2-yl)methyl]propanamide, F0920-6624, 3-[5-(2-amino-2-oxoethyl)sulfanyl-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(thiophen-2-ylmethyl)propanamide
| Molecular Formula | C20H19N5O3S2 |
| Molecular Weight | 441.09293 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 171.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 441.09293 Da |
| Heavy Atoms | 30 |
| Complexity | 772.0 |
| SMILES | C1=CC=C2C(=C1)C3=NC(C(=O)N3C(=N2)SCC(=O)N)CCC(=O)NCC4=CC=CS4 |
| InChIKey | USJKKYQKLGPPLI-UHFFFAOYSA-N |
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-{5-[(carbamoylmethyl)sulfanyl]-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-2-yl}-N-[(thiophen-2-yl)methyl]propanamide. The TPSA of 171.0 Ų indicates high polarity, suggesting 3-{5-[(carbamoylmethyl)sulfanyl]-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-2-yl}-N-[(thiophen-2-yl)methyl]propanamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-{5-[(carbamoylmethyl)sulfanyl]-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-2-yl}-N-[(thiophen-2-yl)methyl]propanamide has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3-{5-[(carbamoylmethyl)sulfanyl]-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-2-yl}-N-[(thiophen-2-yl)methyl]propanamide is 1028070-51-0.
The molecular formula of 3-{5-[(carbamoylmethyl)sulfanyl]-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-2-yl}-N-[(thiophen-2-yl)methyl]propanamide is C20H19N5O3S2.
The molecular weight of 3-{5-[(carbamoylmethyl)sulfanyl]-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-2-yl}-N-[(thiophen-2-yl)methyl]propanamide is 441.09293 g/mol.
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