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

C12H10N4O2S2 — CID 4074613

IUPAC3-methyl-N-(4-methyl-1,3-thiazol-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1csc(NC(=O)c2cnc3scc(C)n3c2=O)n1
InChIInChI=1S/C12H10N4O2S2/c1-6-4-19-11(14-6)15-9(17)8-3-13-12-16(10(8)18)7(2)5-20-12/h3-5H,1-2H3,(H,14,15,17)
InChIKeySOLOWOQFEXGQBK-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.08
Rot. Bonds2

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

3-methyl-N-(4-methyl-1,3-thiazol-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 4074613) has the molecular formula C12H10N4O2S2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 3-methyl-N-(4-methyl-1,3-thiazol-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(4-methyl-1,3-thiazol-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID4074613
Molecular FormulaC12H10N4O2S2
Molecular Weight306.37 g/mol
Exact Mass306.02
IUPAC Name3-methyl-N-(4-methyl-1,3-thiazol-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1csc(NC(=O)c2cnc3scc(C)n3c2=O)n1
InChIInChI=1S/C12H10N4O2S2/c1-6-4-19-11(14-6)15-9(17)8-3-13-12-16(10(8)18)7(2)5-20-12/h3-5H,1-2H3,(H,14,15,17)
InChIKeySOLOWOQFEXGQBK-UHFFFAOYSA-N
XLogP2.08
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(4-methyl-1,3-thiazol-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of 3-methyl-N-(4-methyl-1,3-thiazol-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 4074613) is 3-methyl-N-(4-methyl-1,3-thiazol-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 3-methyl-N-(4-methyl-1,3-thiazol-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for 3-methyl-N-(4-methyl-1,3-thiazol-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is Cc1csc(NC(=O)c2cnc3scc(C)n3c2=O)n1.
What is the InChIKey of 3-methyl-N-(4-methyl-1,3-thiazol-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is SOLOWOQFEXGQBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O2S2/c1-6-4-19-11(14-6)15-9(17)8-3-13-12-16(10(8)18)7(2)5-20-12/h3-5H,1-2H3,(H,14,15,17).
What are the key properties of 3-methyl-N-(4-methyl-1,3-thiazol-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
3-methyl-N-(4-methyl-1,3-thiazol-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 306.37 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(4-methyl-1,3-thiazol-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 4074613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).