N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide

C23H15ClN4O2S2 — CID 60520102

About N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide

N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide (PubChem CID 60520102) has the molecular formula C23H15ClN4O2S2 and a molecular weight of 478.99 g/mol. Its IUPAC name is N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide.

Molecular Properties

• Compound Name: N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
• PubChem CID: 60520102
• Molecular Formula: C23H15ClN4O2S2
• Molecular Weight: 478.99 g/mol
• Exact Mass: 478.03
• IUPAC Name: N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
• SMILES: Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)Nc2nc(-c3ccc(Cl)s3)cs2)cc1
• InChI: InChI=1S/C23H15ClN4O2S2/c1-13-25-17-5-3-2-4-16(17)22(30)28(13)15-8-6-14(7-9-15)21(29)27-23-26-18(12-31-23)19-10-11-20(24)32-19/h2-12H,1H3,(H,26,27,29)
• InChIKey: MVDAKMRAPCMPSA-UHFFFAOYSA-N
• XLogP: 5.78
• TPSA: 76.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	478.99
LogP ≤ 5	5.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide?

The IUPAC name of N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide (CID 60520102) is N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide.

What is the SMILES notation for N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide?

The canonical SMILES for N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide is Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)Nc2nc(-c3ccc(Cl)s3)cs2)cc1.

What is the InChIKey of N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide?

The InChIKey is MVDAKMRAPCMPSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15ClN4O2S2/c1-13-25-17-5-3-2-4-16(17)22(30)28(13)15-8-6-14(7-9-15)21(29)27-23-26-18(12-31-23)19-10-11-20(24)32-19/h2-12H,1H3,(H,26,27,29).

What are the key properties of N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide?

N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide has a molecular weight of 478.99 g/mol, XLogP of 5.78, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide is sourced from PubChem (CID 60520102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).