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

C13H13N5O2S — CID 47934472

IUPAC5-oxo-N-(5-propan-2-yl-1H-pyrazol-3-yl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCC(C)c1cc(NC(=O)c2cnc3sccn3c2=O)n[nH]1
InChIInChI=1S/C13H13N5O2S/c1-7(2)9-5-10(17-16-9)15-11(19)8-6-14-13-18(12(8)20)3-4-21-13/h3-7H,1-2H3,(H2,15,16,17,19)
InChIKeyJOLSFYMDFPHCLH-UHFFFAOYSA-N
MW303.35 g/mol
LogP1.85
Rot. Bonds3

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

5-oxo-N-(5-propan-2-yl-1H-pyrazol-3-yl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 47934472) has the molecular formula C13H13N5O2S and a molecular weight of 303.35 g/mol. Its IUPAC name is 5-oxo-N-(5-propan-2-yl-1H-pyrazol-3-yl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-oxo-N-(5-propan-2-yl-1H-pyrazol-3-yl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID47934472
Molecular FormulaC13H13N5O2S
Molecular Weight303.35 g/mol
Exact Mass303.08
IUPAC Name5-oxo-N-(5-propan-2-yl-1H-pyrazol-3-yl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCC(C)c1cc(NC(=O)c2cnc3sccn3c2=O)n[nH]1
InChIInChI=1S/C13H13N5O2S/c1-7(2)9-5-10(17-16-9)15-11(19)8-6-14-13-18(12(8)20)3-4-21-13/h3-7H,1-2H3,(H2,15,16,17,19)
InChIKeyJOLSFYMDFPHCLH-UHFFFAOYSA-N
XLogP1.85
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.35
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-(5-propan-2-yl-1H-pyrazol-3-yl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of 5-oxo-N-(5-propan-2-yl-1H-pyrazol-3-yl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 47934472) is 5-oxo-N-(5-propan-2-yl-1H-pyrazol-3-yl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 5-oxo-N-(5-propan-2-yl-1H-pyrazol-3-yl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for 5-oxo-N-(5-propan-2-yl-1H-pyrazol-3-yl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CC(C)c1cc(NC(=O)c2cnc3sccn3c2=O)n[nH]1.
What is the InChIKey of 5-oxo-N-(5-propan-2-yl-1H-pyrazol-3-yl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is JOLSFYMDFPHCLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O2S/c1-7(2)9-5-10(17-16-9)15-11(19)8-6-14-13-18(12(8)20)3-4-21-13/h3-7H,1-2H3,(H2,15,16,17,19).
What are the key properties of 5-oxo-N-(5-propan-2-yl-1H-pyrazol-3-yl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
5-oxo-N-(5-propan-2-yl-1H-pyrazol-3-yl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 303.35 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-(5-propan-2-yl-1H-pyrazol-3-yl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 47934472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).