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

C18H15N5O2S — CID 45154055

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

N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 45154055) has the molecular formula C18H15N5O2S and a molecular weight of 365.42 g/mol. Its IUPAC name is N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
• PubChem CID: 45154055
• Molecular Formula: C18H15N5O2S
• Molecular Weight: 365.42 g/mol
• Exact Mass: 365.09
• IUPAC Name: N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
• SMILES: Cc1cccc(Cn2ccc(NC(=O)c3cnc4sccn4c3=O)n2)c1
• InChI: InChI=1S/C18H15N5O2S/c1-12-3-2-4-13(9-12)11-22-6-5-15(21-22)20-16(24)14-10-19-18-23(17(14)25)7-8-26-18/h2-10H,11H2,1H3,(H,20,21,24)
• InChIKey: VOGZHVGALWBYJQ-UHFFFAOYSA-N
• XLogP: 2.56
• 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	365.42
LogP ≤ 5	2.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 45154055) is N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

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

The canonical SMILES for N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is Cc1cccc(Cn2ccc(NC(=O)c3cnc4sccn4c3=O)n2)c1.

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

The InChIKey is VOGZHVGALWBYJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O2S/c1-12-3-2-4-13(9-12)11-22-6-5-15(21-22)20-16(24)14-10-19-18-23(17(14)25)7-8-26-18/h2-10H,11H2,1H3,(H,20,21,24).

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

N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 365.42 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 45154055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).