5-oxo-N-(4-propan-2-yl-1,3-thiazol-2-yl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C13H12N4O2S2 — CID 18130034

IUPAC5-oxo-N-(4-propan-2-yl-1,3-thiazol-2-yl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCC(C)c1csc(NC(=O)c2cnc3sccn3c2=O)n1
InChIInChI=1S/C13H12N4O2S2/c1-7(2)9-6-21-12(15-9)16-10(18)8-5-14-13-17(11(8)19)3-4-20-13/h3-7H,1-2H3,(H,15,16,18)
InChIKeyRWJPWYPMQVJCOK-UHFFFAOYSA-N
MW320.40 g/mol
LogP2.59
Rot. Bonds3

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

5-oxo-N-(4-propan-2-yl-1,3-thiazol-2-yl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 18130034) has the molecular formula C13H12N4O2S2 and a molecular weight of 320.40 g/mol. Its IUPAC name is 5-oxo-N-(4-propan-2-yl-1,3-thiazol-2-yl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-oxo-N-(4-propan-2-yl-1,3-thiazol-2-yl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID18130034
Molecular FormulaC13H12N4O2S2
Molecular Weight320.40 g/mol
Exact Mass320.04
IUPAC Name5-oxo-N-(4-propan-2-yl-1,3-thiazol-2-yl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCC(C)c1csc(NC(=O)c2cnc3sccn3c2=O)n1
InChIInChI=1S/C13H12N4O2S2/c1-7(2)9-6-21-12(15-9)16-10(18)8-5-14-13-17(11(8)19)3-4-20-13/h3-7H,1-2H3,(H,15,16,18)
InChIKeyRWJPWYPMQVJCOK-UHFFFAOYSA-N
XLogP2.59
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-(4-propan-2-yl-1,3-thiazol-2-yl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of 5-oxo-N-(4-propan-2-yl-1,3-thiazol-2-yl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 18130034) is 5-oxo-N-(4-propan-2-yl-1,3-thiazol-2-yl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 5-oxo-N-(4-propan-2-yl-1,3-thiazol-2-yl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for 5-oxo-N-(4-propan-2-yl-1,3-thiazol-2-yl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CC(C)c1csc(NC(=O)c2cnc3sccn3c2=O)n1.
What is the InChIKey of 5-oxo-N-(4-propan-2-yl-1,3-thiazol-2-yl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is RWJPWYPMQVJCOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2S2/c1-7(2)9-6-21-12(15-9)16-10(18)8-5-14-13-17(11(8)19)3-4-20-13/h3-7H,1-2H3,(H,15,16,18).
What are the key properties of 5-oxo-N-(4-propan-2-yl-1,3-thiazol-2-yl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
5-oxo-N-(4-propan-2-yl-1,3-thiazol-2-yl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 320.40 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-(4-propan-2-yl-1,3-thiazol-2-yl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 18130034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).