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

C18H16N6O2S — CID 47049114

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

N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 47049114) has the molecular formula C18H16N6O2S and a molecular weight of 380.43 g/mol. Its IUPAC name is N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
• PubChem CID: 47049114
• Molecular Formula: C18H16N6O2S
• Molecular Weight: 380.43 g/mol
• Exact Mass: 380.11
• IUPAC Name: N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
• SMILES: Cc1cc(C)n(-c2ccc(CNC(=O)c3cnc4sccn4c3=O)cn2)n1
• InChI: InChI=1S/C18H16N6O2S/c1-11-7-12(2)24(22-11)15-4-3-13(8-19-15)9-20-16(25)14-10-21-18-23(17(14)26)5-6-27-18/h3-8,10H,9H2,1-2H3,(H,20,25)
• InChIKey: OMGTUWZLDAYEIV-UHFFFAOYSA-N
• XLogP: 1.88
• TPSA: 94.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.43
LogP ≤ 5	1.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 47049114) is N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

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

The canonical SMILES for N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is Cc1cc(C)n(-c2ccc(CNC(=O)c3cnc4sccn4c3=O)cn2)n1.

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

The InChIKey is OMGTUWZLDAYEIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O2S/c1-11-7-12(2)24(22-11)15-4-3-13(8-19-15)9-20-16(25)14-10-21-18-23(17(14)26)5-6-27-18/h3-8,10H,9H2,1-2H3,(H,20,25).

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

N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 380.43 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 47049114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).