ethyl 2-[ethyl-[(2-methyl-4-oxo-3H-quinazolin-6-yl)methyl]amino]-1,3-thiazole-5-carboxylate

C18H20N4O3S — CID 135966498

About ethyl 2-[ethyl-[(2-methyl-4-oxo-3H-quinazolin-6-yl)methyl]amino]-1,3-thiazole-5-carboxylate

ethyl 2-[ethyl-[(2-methyl-4-oxo-3H-quinazolin-6-yl)methyl]amino]-1,3-thiazole-5-carboxylate (PubChem CID 135966498) has the molecular formula C18H20N4O3S and a molecular weight of 372.45 g/mol. Its IUPAC name is ethyl 2-[ethyl-[(2-methyl-4-oxo-3H-quinazolin-6-yl)methyl]amino]-1,3-thiazole-5-carboxylate.

Molecular Properties

• Compound Name: ethyl 2-[ethyl-[(2-methyl-4-oxo-3H-quinazolin-6-yl)methyl]amino]-1,3-thiazole-5-carboxylate
• PubChem CID: 135966498
• Molecular Formula: C18H20N4O3S
• Molecular Weight: 372.45 g/mol
• Exact Mass: 372.13
• IUPAC Name: ethyl 2-[ethyl-[(2-methyl-4-oxo-3H-quinazolin-6-yl)methyl]amino]-1,3-thiazole-5-carboxylate
• SMILES: CCOC(=O)c1cnc(N(CC)Cc2ccc3nc(C)[nH]c(=O)c3c2)s1
• InChI: InChI=1S/C18H20N4O3S/c1-4-22(18-19-9-15(26-18)17(24)25-5-2)10-12-6-7-14-13(8-12)16(23)21-11(3)20-14/h6-9H,4-5,10H2,1-3H3,(H,20,21,23)
• InChIKey: ATHRCJZFUCSZDD-UHFFFAOYSA-N
• XLogP: 2.89
• TPSA: 88.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	372.45
LogP ≤ 5	2.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[ethyl-[(2-methyl-4-oxo-3H-quinazolin-6-yl)methyl]amino]-1,3-thiazole-5-carboxylate?

The IUPAC name of ethyl 2-[ethyl-[(2-methyl-4-oxo-3H-quinazolin-6-yl)methyl]amino]-1,3-thiazole-5-carboxylate (CID 135966498) is ethyl 2-[ethyl-[(2-methyl-4-oxo-3H-quinazolin-6-yl)methyl]amino]-1,3-thiazole-5-carboxylate.

What is the SMILES notation for ethyl 2-[ethyl-[(2-methyl-4-oxo-3H-quinazolin-6-yl)methyl]amino]-1,3-thiazole-5-carboxylate?

The canonical SMILES for ethyl 2-[ethyl-[(2-methyl-4-oxo-3H-quinazolin-6-yl)methyl]amino]-1,3-thiazole-5-carboxylate is CCOC(=O)c1cnc(N(CC)Cc2ccc3nc(C)[nH]c(=O)c3c2)s1.

What is the InChIKey of ethyl 2-[ethyl-[(2-methyl-4-oxo-3H-quinazolin-6-yl)methyl]amino]-1,3-thiazole-5-carboxylate?

The InChIKey is ATHRCJZFUCSZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3S/c1-4-22(18-19-9-15(26-18)17(24)25-5-2)10-12-6-7-14-13(8-12)16(23)21-11(3)20-14/h6-9H,4-5,10H2,1-3H3,(H,20,21,23).

What are the key properties of ethyl 2-[ethyl-[(2-methyl-4-oxo-3H-quinazolin-6-yl)methyl]amino]-1,3-thiazole-5-carboxylate?

ethyl 2-[ethyl-[(2-methyl-4-oxo-3H-quinazolin-6-yl)methyl]amino]-1,3-thiazole-5-carboxylate has a molecular weight of 372.45 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 2-[ethyl-[(2-methyl-4-oxo-3H-quinazolin-6-yl)methyl]amino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 135966498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).