N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C17H12ClN5O2S — CID 45154043

About N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 45154043) has the molecular formula C17H12ClN5O2S and a molecular weight of 385.84 g/mol. Its IUPAC name is N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
• PubChem CID: 45154043
• Molecular Formula: C17H12ClN5O2S
• Molecular Weight: 385.84 g/mol
• Exact Mass: 385.04
• IUPAC Name: N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
• SMILES: O=C(Nc1cnn(Cc2ccccc2Cl)c1)c1cnc2sccn2c1=O
• InChI: InChI=1S/C17H12ClN5O2S/c18-14-4-2-1-3-11(14)9-22-10-12(7-20-22)21-15(24)13-8-19-17-23(16(13)25)5-6-26-17/h1-8,10H,9H2,(H,21,24)
• InChIKey: ALKKBRXOBXQCPU-UHFFFAOYSA-N
• XLogP: 2.91
• TPSA: 81.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	385.84
LogP ≤ 5	2.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

The IUPAC name of N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 45154043) is N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

What is the SMILES notation for N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

The canonical SMILES for N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is O=C(Nc1cnn(Cc2ccccc2Cl)c1)c1cnc2sccn2c1=O.

What is the InChIKey of N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

The InChIKey is ALKKBRXOBXQCPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN5O2S/c18-14-4-2-1-3-11(14)9-22-10-12(7-20-22)21-15(24)13-8-19-17-23(16(13)25)5-6-26-17/h1-8,10H,9H2,(H,21,24).

What are the key properties of N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 385.84 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 45154043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).