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

C22H18N4O3S — CID 1426222

IUPAC7-methyl-3-N-(4-methylphenyl)-5-oxo-2-N-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-2,3-dicarboxamide
SMILESCc1ccc(NC(=O)c2c(C(=O)Nc3ccccc3)sc3nc(C)cc(=O)n23)cc1
InChIInChI=1S/C22H18N4O3S/c1-13-8-10-16(11-9-13)24-20(28)18-19(21(29)25-15-6-4-3-5-7-15)30-22-23-14(2)12-17(27)26(18)22/h3-12H,1-2H3,(H,24,28)(H,25,29)
InChIKeyCPVNCNOMOHEQAP-UHFFFAOYSA-N
MW418.48 g/mol
LogP3.88
Rot. Bonds4

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

7-methyl-3-N-(4-methylphenyl)-5-oxo-2-N-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-2,3-dicarboxamide (PubChem CID 1426222) has the molecular formula C22H18N4O3S and a molecular weight of 418.48 g/mol. Its IUPAC name is 7-methyl-3-N-(4-methylphenyl)-5-oxo-2-N-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-2,3-dicarboxamide.

Molecular Properties

Compound Name7-methyl-3-N-(4-methylphenyl)-5-oxo-2-N-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-2,3-dicarboxamide
PubChem CID1426222
Molecular FormulaC22H18N4O3S
Molecular Weight418.48 g/mol
Exact Mass418.11
IUPAC Name7-methyl-3-N-(4-methylphenyl)-5-oxo-2-N-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-2,3-dicarboxamide
SMILESCc1ccc(NC(=O)c2c(C(=O)Nc3ccccc3)sc3nc(C)cc(=O)n23)cc1
InChIInChI=1S/C22H18N4O3S/c1-13-8-10-16(11-9-13)24-20(28)18-19(21(29)25-15-6-4-3-5-7-15)30-22-23-14(2)12-17(27)26(18)22/h3-12H,1-2H3,(H,24,28)(H,25,29)
InChIKeyCPVNCNOMOHEQAP-UHFFFAOYSA-N
XLogP3.88
TPSA92.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.48
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-N-(4-bromophenyl)-7-methyl-5-oxo-2-N-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-2,3-dicarboxamide
CID 1426218
2-N-(4-chlorophenyl)-7-methyl-3-N-(3-methylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2,3-dicarboxamide
CID 2241925
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
propyl 4-[[5-oxo-2-(phenylcarbamoyl)-7-propyl-[1,3]thiazolo[3,2-a]pyrimidine-3-carbonyl]amino]benzoate
CID 2240079
3-N-(2,5-dimethoxyphenyl)-5-oxo-2-N-phenyl-7-propyl-[1,3]thiazolo[3,2-a]pyrimidine-2,3-dicarboxamide
CID 1426133
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
3-N-(4-fluorophenyl)-6-methyl-2-N-(4-methylphenyl)-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazine-2,3-dicarboxamide
CID 1193185
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
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-(4-methylphenyl)-2-(phenylcarbamoylamino)-1,3-thiazole-4-carboxamide
CID 16948187
N-(4-acetamidophenyl)-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide
CID 46326170
4-methyl-N-(4-methylphenyl)-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-5-carboxamide
CID 16897185

Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-N-(4-methylphenyl)-5-oxo-2-N-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-2,3-dicarboxamide?
The IUPAC name of 7-methyl-3-N-(4-methylphenyl)-5-oxo-2-N-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-2,3-dicarboxamide (CID 1426222) is 7-methyl-3-N-(4-methylphenyl)-5-oxo-2-N-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-2,3-dicarboxamide.
What is the SMILES notation for 7-methyl-3-N-(4-methylphenyl)-5-oxo-2-N-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-2,3-dicarboxamide?
The canonical SMILES for 7-methyl-3-N-(4-methylphenyl)-5-oxo-2-N-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-2,3-dicarboxamide is Cc1ccc(NC(=O)c2c(C(=O)Nc3ccccc3)sc3nc(C)cc(=O)n23)cc1.
What is the InChIKey of 7-methyl-3-N-(4-methylphenyl)-5-oxo-2-N-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-2,3-dicarboxamide?
The InChIKey is CPVNCNOMOHEQAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O3S/c1-13-8-10-16(11-9-13)24-20(28)18-19(21(29)25-15-6-4-3-5-7-15)30-22-23-14(2)12-17(27)26(18)22/h3-12H,1-2H3,(H,24,28)(H,25,29).
What are the key properties of 7-methyl-3-N-(4-methylphenyl)-5-oxo-2-N-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-2,3-dicarboxamide?
7-methyl-3-N-(4-methylphenyl)-5-oxo-2-N-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-2,3-dicarboxamide has a molecular weight of 418.48 g/mol, XLogP of 3.88, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-N-(4-methylphenyl)-5-oxo-2-N-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-2,3-dicarboxamide is sourced from PubChem (CID 1426222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).