3-(4-oxocinnolin-1-yl)-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]propanamide

C23H22N4O2S — CID 16568405

IUPAC3-(4-oxocinnolin-1-yl)-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]propanamide
SMILESCc1cc(C)c(-c2csc(NC(=O)CCn3ncc(=O)c4ccccc43)n2)c(C)c1
InChIInChI=1S/C23H22N4O2S/c1-14-10-15(2)22(16(3)11-14)18-13-30-23(25-18)26-21(29)8-9-27-19-7-5-4-6-17(19)20(28)12-24-27/h4-7,10-13H,8-9H2,1-3H3,(H,25,26,29)
InChIKeyWVCPPCVHDTYWDQ-UHFFFAOYSA-N
MW418.52 g/mol
LogP4.47
Rot. Bonds5

About 3-(4-oxocinnolin-1-yl)-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]propanamide

3-(4-oxocinnolin-1-yl)-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]propanamide (PubChem CID 16568405) has the molecular formula C23H22N4O2S and a molecular weight of 418.52 g/mol. Its IUPAC name is 3-(4-oxocinnolin-1-yl)-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name3-(4-oxocinnolin-1-yl)-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]propanamide
PubChem CID16568405
Molecular FormulaC23H22N4O2S
Molecular Weight418.52 g/mol
Exact Mass418.15
IUPAC Name3-(4-oxocinnolin-1-yl)-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]propanamide
SMILESCc1cc(C)c(-c2csc(NC(=O)CCn3ncc(=O)c4ccccc43)n2)c(C)c1
InChIInChI=1S/C23H22N4O2S/c1-14-10-15(2)22(16(3)11-14)18-13-30-23(25-18)26-21(29)8-9-27-19-7-5-4-6-17(19)20(28)12-24-27/h4-7,10-13H,8-9H2,1-3H3,(H,25,26,29)
InChIKeyWVCPPCVHDTYWDQ-UHFFFAOYSA-N
XLogP4.47
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-3-(4-oxocinnolin-1-yl)propanamide
CID 16568422
N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-3-(4-oxocinnolin-1-yl)propanamide
CID 134015418
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-(4-oxocinnolin-1-yl)propanamide
CID 51255004
N-(4-iodo-2-methylphenyl)-3-(4-oxocinnolin-1-yl)propanamide
CID 55439085
3-(4-oxocinnolin-1-yl)-N-propan-2-ylpropanamide
CID 47123641
N-(3-acetamidophenyl)-3-(4-oxocinnolin-1-yl)propanamide
CID 51254626
3-(1H-indol-3-yl)-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]propanamide
CID 7918438
3-(4-oxocinnolin-1-yl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 134015511
N-[2-(4-methylphenoxy)phenyl]-3-(4-oxocinnolin-1-yl)propanamide
CID 51254853
N-(1-naphthalen-1-ylethyl)-3-(4-oxocinnolin-1-yl)propanamide
CID 51254953
2-(4-methylphenyl)-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 43951110
N-(3-chloro-2-methylphenyl)-3-(4-oxocinnolin-1-yl)propanamide
CID 51254629

Frequently Asked Questions

What is the IUPAC name of 3-(4-oxocinnolin-1-yl)-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 3-(4-oxocinnolin-1-yl)-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]propanamide (CID 16568405) is 3-(4-oxocinnolin-1-yl)-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 3-(4-oxocinnolin-1-yl)-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 3-(4-oxocinnolin-1-yl)-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]propanamide is Cc1cc(C)c(-c2csc(NC(=O)CCn3ncc(=O)c4ccccc43)n2)c(C)c1.
What is the InChIKey of 3-(4-oxocinnolin-1-yl)-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]propanamide?
The InChIKey is WVCPPCVHDTYWDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2S/c1-14-10-15(2)22(16(3)11-14)18-13-30-23(25-18)26-21(29)8-9-27-19-7-5-4-6-17(19)20(28)12-24-27/h4-7,10-13H,8-9H2,1-3H3,(H,25,26,29).
What are the key properties of 3-(4-oxocinnolin-1-yl)-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]propanamide?
3-(4-oxocinnolin-1-yl)-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 418.52 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-oxocinnolin-1-yl)-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 16568405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).