N-(3-chloro-4-methoxyphenyl)-3-(4-methylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C21H16ClN3O3S — CID 17248616

IUPACN-(3-chloro-4-methoxyphenyl)-3-(4-methylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCOc1ccc(NC(=O)c2cnc3scc(-c4ccc(C)cc4)n3c2=O)cc1Cl
InChIInChI=1S/C21H16ClN3O3S/c1-12-3-5-13(6-4-12)17-11-29-21-23-10-15(20(27)25(17)21)19(26)24-14-7-8-18(28-2)16(22)9-14/h3-11H,1-2H3,(H,24,26)
InChIKeyGMNQUWCVUWDHSU-UHFFFAOYSA-N
MW425.90 g/mol
LogP4.65
Rot. Bonds4

About N-(3-chloro-4-methoxyphenyl)-3-(4-methylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

N-(3-chloro-4-methoxyphenyl)-3-(4-methylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 17248616) has the molecular formula C21H16ClN3O3S and a molecular weight of 425.90 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-3-(4-methylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-3-(4-methylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID17248616
Molecular FormulaC21H16ClN3O3S
Molecular Weight425.90 g/mol
Exact Mass425.06
IUPAC NameN-(3-chloro-4-methoxyphenyl)-3-(4-methylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCOc1ccc(NC(=O)c2cnc3scc(-c4ccc(C)cc4)n3c2=O)cc1Cl
InChIInChI=1S/C21H16ClN3O3S/c1-12-3-5-13(6-4-12)17-11-29-21-23-10-15(20(27)25(17)21)19(26)24-14-7-8-18(28-2)16(22)9-14/h3-11H,1-2H3,(H,24,26)
InChIKeyGMNQUWCVUWDHSU-UHFFFAOYSA-N
XLogP4.65
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.90
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(3-chloro-4-methoxyphenyl)-3-(4-methylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-chloro-4-methoxyphenyl)-3-(3-methoxyphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 17248659
N-(4-chloro-2,5-dimethoxyphenyl)-3-(4-methylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 17248650
N-(4-methoxyphenyl)-3-(4-methylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 17248607
dimethyl 5-[[3-(4-fluorophenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl]amino]benzene-1,3-dicarboxylate
CID 17248543
N-(5-acetamido-2-methoxyphenyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4581052
N-(4-chlorophenyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 5046966
N-(3-chloro-4-methoxyphenyl)-4-(4-methylanilino)pyridine-2-carboxamide
CID 109219289
N-methoxy-3-(3-methoxyphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126469254
N-(3-chloro-4-methoxyphenyl)-7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 50751543
3-chloro-4-methoxy-N-(4-methylphenyl)benzamide
CID 2976183
N-(3-chloro-4-methoxyphenyl)-6-methylpyridine-3-carboxamide
CID 18150443
N-(3-chloro-4-hydroxyphenyl)-2-methoxy-5-methylbenzamide
CID 63937740

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-3-(4-methylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-3-(4-methylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 17248616) is N-(3-chloro-4-methoxyphenyl)-3-(4-methylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-3-(4-methylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-3-(4-methylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is COc1ccc(NC(=O)c2cnc3scc(-c4ccc(C)cc4)n3c2=O)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-3-(4-methylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is GMNQUWCVUWDHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN3O3S/c1-12-3-5-13(6-4-12)17-11-29-21-23-10-15(20(27)25(17)21)19(26)24-14-7-8-18(28-2)16(22)9-14/h3-11H,1-2H3,(H,24,26).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-3-(4-methylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-(3-chloro-4-methoxyphenyl)-3-(4-methylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 425.90 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-3-(4-methylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 17248616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).