2-N-(4-chlorophenyl)-7-methyl-3-N-(3-methylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2,3-dicarboxamide

C22H17ClN4O3S — CID 2241925

IUPAC2-N-(4-chlorophenyl)-7-methyl-3-N-(3-methylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2,3-dicarboxamide
SMILESCc1cccc(NC(=O)c2c(C(=O)Nc3ccc(Cl)cc3)sc3nc(C)cc(=O)n23)c1
InChIInChI=1S/C22H17ClN4O3S/c1-12-4-3-5-16(10-12)26-20(29)18-19(21(30)25-15-8-6-14(23)7-9-15)31-22-24-13(2)11-17(28)27(18)22/h3-11H,1-2H3,(H,25,30)(H,26,29)
InChIKeyZVMPHGCWAQEXOG-UHFFFAOYSA-N
MW452.92 g/mol
LogP4.53
Rot. Bonds4

About 2-N-(4-chlorophenyl)-7-methyl-3-N-(3-methylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2,3-dicarboxamide

2-N-(4-chlorophenyl)-7-methyl-3-N-(3-methylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2,3-dicarboxamide (PubChem CID 2241925) has the molecular formula C22H17ClN4O3S and a molecular weight of 452.92 g/mol. Its IUPAC name is 2-N-(4-chlorophenyl)-7-methyl-3-N-(3-methylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2,3-dicarboxamide.

Molecular Properties

Compound Name2-N-(4-chlorophenyl)-7-methyl-3-N-(3-methylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2,3-dicarboxamide
PubChem CID2241925
Molecular FormulaC22H17ClN4O3S
Molecular Weight452.92 g/mol
Exact Mass452.07
IUPAC Name2-N-(4-chlorophenyl)-7-methyl-3-N-(3-methylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2,3-dicarboxamide
SMILESCc1cccc(NC(=O)c2c(C(=O)Nc3ccc(Cl)cc3)sc3nc(C)cc(=O)n23)c1
InChIInChI=1S/C22H17ClN4O3S/c1-12-4-3-5-16(10-12)26-20(29)18-19(21(30)25-15-8-6-14(23)7-9-15)31-22-24-13(2)11-17(28)27(18)22/h3-11H,1-2H3,(H,25,30)(H,26,29)
InChIKeyZVMPHGCWAQEXOG-UHFFFAOYSA-N
XLogP4.53
TPSA92.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.92
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

7-methyl-3-N-(4-methylphenyl)-5-oxo-2-N-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-2,3-dicarboxamide
CID 1426222
3-N-(4-bromophenyl)-7-methyl-5-oxo-2-N-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-2,3-dicarboxamide
CID 1426218
methyl 4-[[3-[(3-chloro-4-methylphenyl)carbamoyl]-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carbonyl]amino]benzoate
CID 1426191
2-N-(2,3-dimethylphenyl)-3-N-(3-methylphenyl)-5-oxo-7-propyl-[1,3]thiazolo[3,2-a]pyrimidine-2,3-dicarboxamide
CID 1426101
ethyl 3-[[2-[(3,5-dichlorophenyl)carbamoyl]-5-oxo-7-propyl-[1,3]thiazolo[3,2-a]pyrimidine-3-carbonyl]amino]benzoate
CID 1426159
methyl 4-[[2-[(3,5-dichlorophenyl)carbamoyl]-5-oxo-7-propyl-[1,3]thiazolo[3,2-a]pyrimidine-3-carbonyl]amino]benzoate
CID 1426173
N-(3-bromophenyl)-2-[(4-chlorophenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 16897620
6-N-(3-methylphenyl)-2-N-phenylpyridine-2,6-dicarboxamide
CID 109099953
propyl 4-[[5-oxo-2-(phenylcarbamoyl)-7-propyl-[1,3]thiazolo[3,2-a]pyrimidine-3-carbonyl]amino]benzoate
CID 2240079
4-methyl-N-(4-methylphenyl)-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-5-carboxamide
CID 16897185
2-(4-chloroanilino)-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109313921
2-N-(2,3-dimethylphenyl)-7-methyl-5-oxo-3-N-(2-phenylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-2,3-dicarboxamide
CID 1426198

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-chlorophenyl)-7-methyl-3-N-(3-methylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2,3-dicarboxamide?
The IUPAC name of 2-N-(4-chlorophenyl)-7-methyl-3-N-(3-methylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2,3-dicarboxamide (CID 2241925) is 2-N-(4-chlorophenyl)-7-methyl-3-N-(3-methylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2,3-dicarboxamide.
What is the SMILES notation for 2-N-(4-chlorophenyl)-7-methyl-3-N-(3-methylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2,3-dicarboxamide?
The canonical SMILES for 2-N-(4-chlorophenyl)-7-methyl-3-N-(3-methylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2,3-dicarboxamide is Cc1cccc(NC(=O)c2c(C(=O)Nc3ccc(Cl)cc3)sc3nc(C)cc(=O)n23)c1.
What is the InChIKey of 2-N-(4-chlorophenyl)-7-methyl-3-N-(3-methylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2,3-dicarboxamide?
The InChIKey is ZVMPHGCWAQEXOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN4O3S/c1-12-4-3-5-16(10-12)26-20(29)18-19(21(30)25-15-8-6-14(23)7-9-15)31-22-24-13(2)11-17(28)27(18)22/h3-11H,1-2H3,(H,25,30)(H,26,29).
What are the key properties of 2-N-(4-chlorophenyl)-7-methyl-3-N-(3-methylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2,3-dicarboxamide?
2-N-(4-chlorophenyl)-7-methyl-3-N-(3-methylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2,3-dicarboxamide has a molecular weight of 452.92 g/mol, XLogP of 4.53, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-chlorophenyl)-7-methyl-3-N-(3-methylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2,3-dicarboxamide is sourced from PubChem (CID 2241925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).