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

C15H13N3O3S — CID 3690797

IUPACN-(2-methoxy-5-methylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1cnc2sccn2c1=O
InChIInChI=1S/C15H13N3O3S/c1-9-3-4-12(21-2)11(7-9)17-13(19)10-8-16-15-18(14(10)20)5-6-22-15/h3-8H,1-2H3,(H,17,19)
InChIKeyKNCKMHDXEZRJDU-UHFFFAOYSA-N
MW315.35 g/mol
LogP2.33
Rot. Bonds3

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

N-(2-methoxy-5-methylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 3690797) has the molecular formula C15H13N3O3S and a molecular weight of 315.35 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID3690797
Molecular FormulaC15H13N3O3S
Molecular Weight315.35 g/mol
Exact Mass315.07
IUPAC NameN-(2-methoxy-5-methylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1cnc2sccn2c1=O
InChIInChI=1S/C15H13N3O3S/c1-9-3-4-12(21-2)11(7-9)17-13(19)10-8-16-15-18(14(10)20)5-6-22-15/h3-8H,1-2H3,(H,17,19)
InChIKeyKNCKMHDXEZRJDU-UHFFFAOYSA-N
XLogP2.33
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 3690797) is N-(2-methoxy-5-methylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is COc1ccc(C)cc1NC(=O)c1cnc2sccn2c1=O.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is KNCKMHDXEZRJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3S/c1-9-3-4-12(21-2)11(7-9)17-13(19)10-8-16-15-18(14(10)20)5-6-22-15/h3-8H,1-2H3,(H,17,19).
What are the key properties of N-(2-methoxy-5-methylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-(2-methoxy-5-methylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 315.35 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 3690797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).