2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide

C16H17N5O2S — CID 135901476

About 2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide

2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 135901476) has the molecular formula C16H17N5O2S and a molecular weight of 343.41 g/mol. Its IUPAC name is 2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

• Compound Name: 2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
• PubChem CID: 135901476
• Molecular Formula: C16H17N5O2S
• Molecular Weight: 343.41 g/mol
• Exact Mass: 343.11
• IUPAC Name: 2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
• SMILES: Cc1csc(NC(=O)CN(C)Cc2nc3ccccc3c(=O)[nH]2)n1
• InChI: InChI=1S/C16H17N5O2S/c1-10-9-24-16(17-10)20-14(22)8-21(2)7-13-18-12-6-4-3-5-11(12)15(23)19-13/h3-6,9H,7-8H2,1-2H3,(H,17,20,22)(H,18,19,23)
• InChIKey: JSGILWINJSNBMP-UHFFFAOYSA-N
• XLogP: 1.76
• TPSA: 90.98 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	343.41
LogP ≤ 5	1.76
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?

The IUPAC name of 2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide (CID 135901476) is 2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide.

What is the SMILES notation for 2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?

The canonical SMILES for 2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide is Cc1csc(NC(=O)CN(C)Cc2nc3ccccc3c(=O)[nH]2)n1.

What is the InChIKey of 2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?

The InChIKey is JSGILWINJSNBMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2S/c1-10-9-24-16(17-10)20-14(22)8-21(2)7-13-18-12-6-4-3-5-11(12)15(23)19-13/h3-6,9H,7-8H2,1-2H3,(H,17,20,22)(H,18,19,23).

What are the key properties of 2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?

2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 343.41 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 135901476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).