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

C22H18ClN3O4S — CID 17248650

IUPACN-(4-chloro-2,5-dimethoxyphenyl)-3-(4-methylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCOc1cc(NC(=O)c2cnc3scc(-c4ccc(C)cc4)n3c2=O)c(OC)cc1Cl
InChIInChI=1S/C22H18ClN3O4S/c1-12-4-6-13(7-5-12)17-11-31-22-24-10-14(21(28)26(17)22)20(27)25-16-9-18(29-2)15(23)8-19(16)30-3/h4-11H,1-3H3,(H,25,27)
InChIKeyJZKIIQPLYJIQKX-UHFFFAOYSA-N
MW455.92 g/mol
LogP4.65
Rot. Bonds5

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

N-(4-chloro-2,5-dimethoxyphenyl)-3-(4-methylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 17248650) has the molecular formula C22H18ClN3O4S and a molecular weight of 455.92 g/mol. Its IUPAC name is N-(4-chloro-2,5-dimethoxyphenyl)-3-(4-methylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2,5-dimethoxyphenyl)-3-(4-methylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID17248650
Molecular FormulaC22H18ClN3O4S
Molecular Weight455.92 g/mol
Exact Mass455.07
IUPAC NameN-(4-chloro-2,5-dimethoxyphenyl)-3-(4-methylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCOc1cc(NC(=O)c2cnc3scc(-c4ccc(C)cc4)n3c2=O)c(OC)cc1Cl
InChIInChI=1S/C22H18ClN3O4S/c1-12-4-6-13(7-5-12)17-11-31-22-24-10-14(21(28)26(17)22)20(27)25-16-9-18(29-2)15(23)8-19(16)30-3/h4-11H,1-3H3,(H,25,27)
InChIKeyJZKIIQPLYJIQKX-UHFFFAOYSA-N
XLogP4.65
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.92
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-3-(4-methylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 17248616
methyl 4,5-dimethoxy-2-[(5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]benzoate
CID 17248499
N-(3-chloro-4-methoxyphenyl)-3-(3-methoxyphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 17248659
N-(5-acetamido-2-methoxyphenyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4581052
N-(3-methoxyphenyl)-5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 3341720
dimethyl 5-[[3-(4-fluorophenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl]amino]benzene-1,3-dicarboxylate
CID 17248543
N-(4-chloro-2,5-dimethoxyphenyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 110864497
N-(4-chloro-2,5-dimethoxyphenyl)-2,4-dimethylpyrimidine-5-carboxamide
CID 92648532
N-(4-chloro-2,5-dimethoxyphenyl)-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 26069017
N-methoxy-3-(3-methoxyphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126469254
N-(4-chloro-2,5-dimethoxyphenyl)-6-methylpyridine-3-carboxamide
CID 18149046
N-(4-chloro-2,5-dimethoxyphenyl)-4-methoxy-2-methyl-5-propan-2-ylbenzamide
CID 100715402

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-3-(4-methylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-3-(4-methylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 17248650) is N-(4-chloro-2,5-dimethoxyphenyl)-3-(4-methylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(4-chloro-2,5-dimethoxyphenyl)-3-(4-methylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-(4-chloro-2,5-dimethoxyphenyl)-3-(4-methylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is COc1cc(NC(=O)c2cnc3scc(-c4ccc(C)cc4)n3c2=O)c(OC)cc1Cl.
What is the InChIKey of N-(4-chloro-2,5-dimethoxyphenyl)-3-(4-methylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is JZKIIQPLYJIQKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN3O4S/c1-12-4-6-13(7-5-12)17-11-31-22-24-10-14(21(28)26(17)22)20(27)25-16-9-18(29-2)15(23)8-19(16)30-3/h4-11H,1-3H3,(H,25,27).
What are the key properties of N-(4-chloro-2,5-dimethoxyphenyl)-3-(4-methylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-(4-chloro-2,5-dimethoxyphenyl)-3-(4-methylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 455.92 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2,5-dimethoxyphenyl)-3-(4-methylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 17248650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).