N-ethyl-2-(furan-2-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1,3-thiazole-4-carboxamide

C19H16N4O3S — CID 137296733

About N-ethyl-2-(furan-2-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1,3-thiazole-4-carboxamide

N-ethyl-2-(furan-2-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 137296733) has the molecular formula C19H16N4O3S and a molecular weight of 380.43 g/mol. Its IUPAC name is N-ethyl-2-(furan-2-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: N-ethyl-2-(furan-2-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1,3-thiazole-4-carboxamide
• PubChem CID: 137296733
• Molecular Formula: C19H16N4O3S
• Molecular Weight: 380.43 g/mol
• Exact Mass: 380.09
• IUPAC Name: N-ethyl-2-(furan-2-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1,3-thiazole-4-carboxamide
• SMILES: CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1csc(-c2ccco2)n1
• InChI: InChI=1S/C19H16N4O3S/c1-2-23(10-16-20-13-7-4-3-6-12(13)17(24)22-16)19(25)14-11-27-18(21-14)15-8-5-9-26-15/h3-9,11H,2,10H2,1H3,(H,20,22,24)
• InChIKey: OIDDCBMKGNGZJE-UHFFFAOYSA-N
• XLogP: 3.30
• TPSA: 92.09 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.43
LogP ≤ 5	3.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(furan-2-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1,3-thiazole-4-carboxamide?

The IUPAC name of N-ethyl-2-(furan-2-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1,3-thiazole-4-carboxamide (CID 137296733) is N-ethyl-2-(furan-2-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1,3-thiazole-4-carboxamide.

What is the SMILES notation for N-ethyl-2-(furan-2-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1,3-thiazole-4-carboxamide?

The canonical SMILES for N-ethyl-2-(furan-2-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1,3-thiazole-4-carboxamide is CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1csc(-c2ccco2)n1.

What is the InChIKey of N-ethyl-2-(furan-2-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1,3-thiazole-4-carboxamide?

The InChIKey is OIDDCBMKGNGZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3S/c1-2-23(10-16-20-13-7-4-3-6-12(13)17(24)22-16)19(25)14-11-27-18(21-14)15-8-5-9-26-15/h3-9,11H,2,10H2,1H3,(H,20,22,24).

What are the key properties of N-ethyl-2-(furan-2-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1,3-thiazole-4-carboxamide?

N-ethyl-2-(furan-2-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 380.43 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-ethyl-2-(furan-2-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 137296733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).