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

C16H16N4O3S — CID 135588789

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

2-[ethyl-[(2-methyl-4-oxo-3H-quinazolin-6-yl)methyl]amino]-1,3-thiazole-5-carboxylic acid (PubChem CID 135588789) has the molecular formula C16H16N4O3S and a molecular weight of 344.40 g/mol. Its IUPAC name is 2-[ethyl-[(2-methyl-4-oxo-3H-quinazolin-6-yl)methyl]amino]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

• Compound Name: 2-[ethyl-[(2-methyl-4-oxo-3H-quinazolin-6-yl)methyl]amino]-1,3-thiazole-5-carboxylic acid
• PubChem CID: 135588789
• Molecular Formula: C16H16N4O3S
• Molecular Weight: 344.40 g/mol
• Exact Mass: 344.09
• IUPAC Name: 2-[ethyl-[(2-methyl-4-oxo-3H-quinazolin-6-yl)methyl]amino]-1,3-thiazole-5-carboxylic acid
• SMILES: CCN(Cc1ccc2nc(C)[nH]c(=O)c2c1)c1ncc(C(=O)O)s1
• InChI: InChI=1S/C16H16N4O3S/c1-3-20(16-17-7-13(24-16)15(22)23)8-10-4-5-12-11(6-10)14(21)19-9(2)18-12/h4-7H,3,8H2,1-2H3,(H,22,23)(H,18,19,21)
• InChIKey: OUJDAAMHHFOVGI-UHFFFAOYSA-N
• XLogP: 2.41
• TPSA: 99.18 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	344.40
LogP ≤ 5	2.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-[ethyl-[(2-methyl-4-oxo-3H-quinazolin-6-yl)methyl]amino]-1,3-thiazole-5-carboxylic acid (CID 135588789) is 2-[ethyl-[(2-methyl-4-oxo-3H-quinazolin-6-yl)methyl]amino]-1,3-thiazole-5-carboxylic acid.

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

The canonical SMILES for 2-[ethyl-[(2-methyl-4-oxo-3H-quinazolin-6-yl)methyl]amino]-1,3-thiazole-5-carboxylic acid is CCN(Cc1ccc2nc(C)[nH]c(=O)c2c1)c1ncc(C(=O)O)s1.

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

The InChIKey is OUJDAAMHHFOVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3S/c1-3-20(16-17-7-13(24-16)15(22)23)8-10-4-5-12-11(6-10)14(21)19-9(2)18-12/h4-7H,3,8H2,1-2H3,(H,22,23)(H,18,19,21).

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

2-[ethyl-[(2-methyl-4-oxo-3H-quinazolin-6-yl)methyl]amino]-1,3-thiazole-5-carboxylic acid has a molecular weight of 344.40 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[ethyl-[(2-methyl-4-oxo-3H-quinazolin-6-yl)methyl]amino]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 135588789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).