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

C15H13N3O2S2 — CID 3255946

IUPAC3-methyl-N-(2-methylsulfanylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCSc1ccccc1NC(=O)c1cnc2scc(C)n2c1=O
InChIInChI=1S/C15H13N3O2S2/c1-9-8-22-15-16-7-10(14(20)18(9)15)13(19)17-11-5-3-4-6-12(11)21-2/h3-8H,1-2H3,(H,17,19)
InChIKeyIEIGNRXIDVEKEK-UHFFFAOYSA-N
MW331.42 g/mol
LogP3.04
Rot. Bonds3

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

3-methyl-N-(2-methylsulfanylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 3255946) has the molecular formula C15H13N3O2S2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 3-methyl-N-(2-methylsulfanylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(2-methylsulfanylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID3255946
Molecular FormulaC15H13N3O2S2
Molecular Weight331.42 g/mol
Exact Mass331.04
IUPAC Name3-methyl-N-(2-methylsulfanylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCSc1ccccc1NC(=O)c1cnc2scc(C)n2c1=O
InChIInChI=1S/C15H13N3O2S2/c1-9-8-22-15-16-7-10(14(20)18(9)15)13(19)17-11-5-3-4-6-12(11)21-2/h3-8H,1-2H3,(H,17,19)
InChIKeyIEIGNRXIDVEKEK-UHFFFAOYSA-N
XLogP3.04
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-methylsulfanylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of 3-methyl-N-(2-methylsulfanylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 3255946) is 3-methyl-N-(2-methylsulfanylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 3-methyl-N-(2-methylsulfanylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for 3-methyl-N-(2-methylsulfanylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CSc1ccccc1NC(=O)c1cnc2scc(C)n2c1=O.
What is the InChIKey of 3-methyl-N-(2-methylsulfanylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is IEIGNRXIDVEKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S2/c1-9-8-22-15-16-7-10(14(20)18(9)15)13(19)17-11-5-3-4-6-12(11)21-2/h3-8H,1-2H3,(H,17,19).
What are the key properties of 3-methyl-N-(2-methylsulfanylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
3-methyl-N-(2-methylsulfanylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-methylsulfanylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 3255946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).