N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-(4-oxocinnolin-1-yl)propanamide

C21H18N4O2S — CID 51255004

IUPACN-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-(4-oxocinnolin-1-yl)propanamide
SMILESCc1nc(-c2ccc(NC(=O)CCn3ncc(=O)c4ccccc43)cc2)cs1
InChIInChI=1S/C21H18N4O2S/c1-14-23-18(13-28-14)15-6-8-16(9-7-15)24-21(27)10-11-25-19-5-3-2-4-17(19)20(26)12-22-25/h2-9,12-13H,10-11H2,1H3,(H,24,27)
InChIKeyAQZYGZBKOFLNMU-UHFFFAOYSA-N
MW390.47 g/mol
LogP3.86
Rot. Bonds5

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

N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-(4-oxocinnolin-1-yl)propanamide (PubChem CID 51255004) has the molecular formula C21H18N4O2S and a molecular weight of 390.47 g/mol. Its IUPAC name is N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-(4-oxocinnolin-1-yl)propanamide.

Molecular Properties

Compound NameN-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-(4-oxocinnolin-1-yl)propanamide
PubChem CID51255004
Molecular FormulaC21H18N4O2S
Molecular Weight390.47 g/mol
Exact Mass390.12
IUPAC NameN-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-(4-oxocinnolin-1-yl)propanamide
SMILESCc1nc(-c2ccc(NC(=O)CCn3ncc(=O)c4ccccc43)cc2)cs1
InChIInChI=1S/C21H18N4O2S/c1-14-23-18(13-28-14)15-6-8-16(9-7-15)24-21(27)10-11-25-19-5-3-2-4-17(19)20(26)12-22-25/h2-9,12-13H,10-11H2,1H3,(H,24,27)
InChIKeyAQZYGZBKOFLNMU-UHFFFAOYSA-N
XLogP3.86
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-acetylphenyl)-3-(4-oxocinnolin-1-yl)propanamide
CID 18097698
3-(4-oxocinnolin-1-yl)-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]propanamide
CID 16568405
N-[4-(2-hydroxyethyl)phenyl]-3-(4-oxocinnolin-1-yl)propanamide
CID 110922929
3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 8541420
N-(3-acetamidophenyl)-3-(4-oxocinnolin-1-yl)propanamide
CID 51254626
N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-3-(4-oxocinnolin-1-yl)propanamide
CID 16568422
3-(4-oxocinnolin-1-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 18097743
N-(2,3-dihydro-1H-inden-5-yl)-3-(4-oxocinnolin-1-yl)propanamide
CID 18097807
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-oxo-4-phenylbutanamide
CID 8534002
N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-3-(4-oxocinnolin-1-yl)propanamide
CID 134015418
3-bromo-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 108727345
N-[2-(4-methylphenoxy)phenyl]-3-(4-oxocinnolin-1-yl)propanamide
CID 51254853

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-(4-oxocinnolin-1-yl)propanamide?
The IUPAC name of N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-(4-oxocinnolin-1-yl)propanamide (CID 51255004) is N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-(4-oxocinnolin-1-yl)propanamide.
What is the SMILES notation for N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-(4-oxocinnolin-1-yl)propanamide?
The canonical SMILES for N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-(4-oxocinnolin-1-yl)propanamide is Cc1nc(-c2ccc(NC(=O)CCn3ncc(=O)c4ccccc43)cc2)cs1.
What is the InChIKey of N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-(4-oxocinnolin-1-yl)propanamide?
The InChIKey is AQZYGZBKOFLNMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2S/c1-14-23-18(13-28-14)15-6-8-16(9-7-15)24-21(27)10-11-25-19-5-3-2-4-17(19)20(26)12-22-25/h2-9,12-13H,10-11H2,1H3,(H,24,27).
What are the key properties of N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-(4-oxocinnolin-1-yl)propanamide?
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-(4-oxocinnolin-1-yl)propanamide has a molecular weight of 390.47 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-(4-oxocinnolin-1-yl)propanamide is sourced from PubChem (CID 51255004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).