2-(4-tert-butylphenyl)-N-[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]quinoline-4-carboxamide

C32H31N3OS — CID 5058718

IUPAC2-(4-tert-butylphenyl)-N-[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]quinoline-4-carboxamide
SMILESCc1ccc(C)c(-c2nc(NC(=O)c3cc(-c4ccc(C(C)(C)C)cc4)nc4ccccc34)sc2C)c1
InChIInChI=1S/C32H31N3OS/c1-19-11-12-20(2)25(17-19)29-21(3)37-31(34-29)35-30(36)26-18-28(33-27-10-8-7-9-24(26)27)22-13-15-23(16-14-22)32(4,5)6/h7-18H,1-6H3,(H,34,35,36)
InChIKeyUMGZOUNPRFNGBZ-UHFFFAOYSA-N
MW505.69 g/mol
LogP8.50
Rot. Bonds4

About 2-(4-tert-butylphenyl)-N-[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]quinoline-4-carboxamide

2-(4-tert-butylphenyl)-N-[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]quinoline-4-carboxamide (PubChem CID 5058718) has the molecular formula C32H31N3OS and a molecular weight of 505.69 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-N-[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-N-[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]quinoline-4-carboxamide
PubChem CID5058718
Molecular FormulaC32H31N3OS
Molecular Weight505.69 g/mol
Exact Mass505.22
IUPAC Name2-(4-tert-butylphenyl)-N-[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]quinoline-4-carboxamide
SMILESCc1ccc(C)c(-c2nc(NC(=O)c3cc(-c4ccc(C(C)(C)C)cc4)nc4ccccc34)sc2C)c1
InChIInChI=1S/C32H31N3OS/c1-19-11-12-20(2)25(17-19)29-21(3)37-31(34-29)35-30(36)26-18-28(33-27-10-8-7-9-24(26)27)22-13-15-23(16-14-22)32(4,5)6/h7-18H,1-6H3,(H,34,35,36)
InChIKeyUMGZOUNPRFNGBZ-UHFFFAOYSA-N
XLogP8.50
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.69
LogP ≤ 58.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-tert-butylphenyl)-N-[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]quinoline-4-carboxamide with MolForge

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Related Compounds

2-(5-methylfuran-2-yl)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide
CID 1229890
N-(2,4-dimethylphenyl)-2-phenylquinoline-4-carboxamide
CID 3480982
4-tert-butyl-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 1185902
2-(2,5-dimethylphenyl)-N-[2-(trifluoromethyl)phenyl]quinoline-4-carboxamide
CID 2220779
2-(2,4-dimethoxyphenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 2164416
2-(4-methylphenyl)-N-(4,5,6-trifluoro-1,3-benzothiazol-2-yl)quinoline-4-carboxamide
CID 2388075
N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-2-phenylquinoline-4-carboxamide
CID 4609567
2-(4-methylphenyl)-N-pyridin-2-ylquinoline-4-carboxamide
CID 868286
2-(4-methylphenyl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide
CID 55810221
N-(4-acetamidophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 4863526
N-[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]furan-2-carboxamide
CID 774248
2-(2,4-dimethylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 3707825

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-N-[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]quinoline-4-carboxamide?
The IUPAC name of 2-(4-tert-butylphenyl)-N-[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]quinoline-4-carboxamide (CID 5058718) is 2-(4-tert-butylphenyl)-N-[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]quinoline-4-carboxamide.
What is the SMILES notation for 2-(4-tert-butylphenyl)-N-[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]quinoline-4-carboxamide?
The canonical SMILES for 2-(4-tert-butylphenyl)-N-[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]quinoline-4-carboxamide is Cc1ccc(C)c(-c2nc(NC(=O)c3cc(-c4ccc(C(C)(C)C)cc4)nc4ccccc34)sc2C)c1.
What is the InChIKey of 2-(4-tert-butylphenyl)-N-[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]quinoline-4-carboxamide?
The InChIKey is UMGZOUNPRFNGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31N3OS/c1-19-11-12-20(2)25(17-19)29-21(3)37-31(34-29)35-30(36)26-18-28(33-27-10-8-7-9-24(26)27)22-13-15-23(16-14-22)32(4,5)6/h7-18H,1-6H3,(H,34,35,36).
What are the key properties of 2-(4-tert-butylphenyl)-N-[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]quinoline-4-carboxamide?
2-(4-tert-butylphenyl)-N-[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]quinoline-4-carboxamide has a molecular weight of 505.69 g/mol, XLogP of 8.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-N-[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]quinoline-4-carboxamide is sourced from PubChem (CID 5058718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).