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

C15H13N3O2S — CID 4112639

IUPAC3-methyl-N-(3-methylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1cccc(NC(=O)c2cnc3scc(C)n3c2=O)c1
InChIInChI=1S/C15H13N3O2S/c1-9-4-3-5-11(6-9)17-13(19)12-7-16-15-18(14(12)20)10(2)8-21-15/h3-8H,1-2H3,(H,17,19)
InChIKeyUQCSLAKDGBJQHP-UHFFFAOYSA-N
MW299.36 g/mol
LogP2.63
Rot. Bonds2

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

3-methyl-N-(3-methylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 4112639) has the molecular formula C15H13N3O2S and a molecular weight of 299.36 g/mol. Its IUPAC name is 3-methyl-N-(3-methylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(3-methylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID4112639
Molecular FormulaC15H13N3O2S
Molecular Weight299.36 g/mol
Exact Mass299.07
IUPAC Name3-methyl-N-(3-methylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1cccc(NC(=O)c2cnc3scc(C)n3c2=O)c1
InChIInChI=1S/C15H13N3O2S/c1-9-4-3-5-11(6-9)17-13(19)12-7-16-15-18(14(12)20)10(2)8-21-15/h3-8H,1-2H3,(H,17,19)
InChIKeyUQCSLAKDGBJQHP-UHFFFAOYSA-N
XLogP2.63
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(3-methylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of 3-methyl-N-(3-methylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 4112639) is 3-methyl-N-(3-methylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 3-methyl-N-(3-methylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for 3-methyl-N-(3-methylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is Cc1cccc(NC(=O)c2cnc3scc(C)n3c2=O)c1.
What is the InChIKey of 3-methyl-N-(3-methylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is UQCSLAKDGBJQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S/c1-9-4-3-5-11(6-9)17-13(19)12-7-16-15-18(14(12)20)10(2)8-21-15/h3-8H,1-2H3,(H,17,19).
What are the key properties of 3-methyl-N-(3-methylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
3-methyl-N-(3-methylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 299.36 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(3-methylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 4112639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).