1-methyl-2-oxo-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide

C23H21N3O2S — CID 55754361

IUPAC1-methyl-2-oxo-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide
SMILESCc1cc(C)c(-c2csc(NC(=O)c3cc(=O)n(C)c4ccccc34)n2)cc1C
InChIInChI=1S/C23H21N3O2S/c1-13-9-15(3)17(10-14(13)2)19-12-29-23(24-19)25-22(28)18-11-21(27)26(4)20-8-6-5-7-16(18)20/h5-12H,1-4H3,(H,24,25,28)
InChIKeyNMRJMNQMVSNBBB-UHFFFAOYSA-N
MW403.51 g/mol
LogP4.84
Rot. Bonds3

About 1-methyl-2-oxo-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide

1-methyl-2-oxo-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide (PubChem CID 55754361) has the molecular formula C23H21N3O2S and a molecular weight of 403.51 g/mol. Its IUPAC name is 1-methyl-2-oxo-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide.

Molecular Properties

Compound Name1-methyl-2-oxo-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide
PubChem CID55754361
Molecular FormulaC23H21N3O2S
Molecular Weight403.51 g/mol
Exact Mass403.14
IUPAC Name1-methyl-2-oxo-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide
SMILESCc1cc(C)c(-c2csc(NC(=O)c3cc(=O)n(C)c4ccccc34)n2)cc1C
InChIInChI=1S/C23H21N3O2S/c1-13-9-15(3)17(10-14(13)2)19-12-29-23(24-19)25-22(28)18-11-21(27)26(4)20-8-6-5-7-16(18)20/h5-12H,1-4H3,(H,24,25,28)
InChIKeyNMRJMNQMVSNBBB-UHFFFAOYSA-N
XLogP4.84
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.51
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-methyl-2-oxoquinoline-4-carboxamide
CID 55754430
2-(trifluoromethyl)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 4857176
2-(tetrazol-1-yl)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 8871902
1-methyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-oxoquinoline-4-carboxamide
CID 55920183
3-benzyl-4-oxo-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]phthalazine-1-carboxamide
CID 3917433
N-(2,4-dimethylphenyl)-1-methyl-2-oxoquinoline-4-carboxamide
CID 110694516
N-(2,3-dimethylphenyl)-1-methyl-2-oxoquinoline-4-carboxamide
CID 110694521
6-oxo-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]-1H-pyridine-3-carboxamide
CID 8005265
4-cyano-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 5198046
4-oxo-3-[2-oxo-2-[[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]amino]ethyl]phthalazine-1-carboxylic acid
CID 16539232
N-[5-(difluoromethyl)-1H-1,2,4-triazol-3-yl]-1-methyl-2-oxoquinoline-4-carboxamide
CID 166321478
1-methyl-2-oxo-N-[4-(phenylcarbamoylamino)phenyl]quinoline-4-carboxamide
CID 55909182

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-oxo-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide?
The IUPAC name of 1-methyl-2-oxo-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide (CID 55754361) is 1-methyl-2-oxo-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide.
What is the SMILES notation for 1-methyl-2-oxo-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide?
The canonical SMILES for 1-methyl-2-oxo-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide is Cc1cc(C)c(-c2csc(NC(=O)c3cc(=O)n(C)c4ccccc34)n2)cc1C.
What is the InChIKey of 1-methyl-2-oxo-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide?
The InChIKey is NMRJMNQMVSNBBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2S/c1-13-9-15(3)17(10-14(13)2)19-12-29-23(24-19)25-22(28)18-11-21(27)26(4)20-8-6-5-7-16(18)20/h5-12H,1-4H3,(H,24,25,28).
What are the key properties of 1-methyl-2-oxo-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide?
1-methyl-2-oxo-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide has a molecular weight of 403.51 g/mol, XLogP of 4.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-oxo-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide is sourced from PubChem (CID 55754361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).