2-(2,4-dimethylphenyl)-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide

C21H17N3OS — CID 2494721

IUPAC2-(2,4-dimethylphenyl)-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3nccs3)c3ccccc3n2)c(C)c1
InChIInChI=1S/C21H17N3OS/c1-13-7-8-15(14(2)11-13)19-12-17(16-5-3-4-6-18(16)23-19)20(25)24-21-22-9-10-26-21/h3-12H,1-2H3,(H,22,24,25)
InChIKeyVQUSWKMFHCIWAC-UHFFFAOYSA-N
MW359.45 g/mol
LogP5.23
Rot. Bonds3

About 2-(2,4-dimethylphenyl)-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide

2-(2,4-dimethylphenyl)-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide (PubChem CID 2494721) has the molecular formula C21H17N3OS and a molecular weight of 359.45 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide
PubChem CID2494721
Molecular FormulaC21H17N3OS
Molecular Weight359.45 g/mol
Exact Mass359.11
IUPAC Name2-(2,4-dimethylphenyl)-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3nccs3)c3ccccc3n2)c(C)c1
InChIInChI=1S/C21H17N3OS/c1-13-7-8-15(14(2)11-13)19-12-17(16-5-3-4-6-18(16)23-19)20(25)24-21-22-9-10-26-21/h3-12H,1-2H3,(H,22,24,25)
InChIKeyVQUSWKMFHCIWAC-UHFFFAOYSA-N
XLogP5.23
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.45
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Tak-715
CID 9952773
6-[difluoro(pyrimidin-5-yl)methyl]-N-(4-methyl-1,3-thiazol-2-yl)quinoline-8-carboxamide
CID 91886057
2-Quinolinecarboxamide, N-2-thiazolyl-
CID 2576269
N-(1,3-thiazol-2-yl)quinoxaline-6-carboxamide
CID 855426
2-chloro-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 950075
2,6-dimethyl-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 2574433
2-pyridin-4-yl-N-[4-(2-thiazolylsulfamoyl)phenyl]-4-quinolinecarboxamide
CID 2385808
2-methyl-N-[4-(2-pyridyl)thiazol-2-yl]benzamide
CID 4123718
N-[4-(2,4,6-Trimethylphenyl)-2-thiazolyl]-4-pyridinecarboxamide
CID 4812517
4-methyl-N-[4-(2-pyridyl)thiazol-2-yl]benzamide
CID 5002053
N-(5-Cyclobutyl-thiazol-2-yl)-2-quinolin-6-yl-acetamide
CID 9967013
N-[4'-(2-Amino-4-thiazolyl)-6-methyl-[1,1'-biphenyl]-3-yl]-2-(1-pyrrolidinyl)-4-pyridinecarboxamide
CID 10072721

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide?
The IUPAC name of 2-(2,4-dimethylphenyl)-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide (CID 2494721) is 2-(2,4-dimethylphenyl)-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(2,4-dimethylphenyl)-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide?
The canonical SMILES for 2-(2,4-dimethylphenyl)-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide is Cc1ccc(-c2cc(C(=O)Nc3nccs3)c3ccccc3n2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenyl)-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide?
The InChIKey is VQUSWKMFHCIWAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3OS/c1-13-7-8-15(14(2)11-13)19-12-17(16-5-3-4-6-18(16)23-19)20(25)24-21-22-9-10-26-21/h3-12H,1-2H3,(H,22,24,25).
What are the key properties of 2-(2,4-dimethylphenyl)-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide?
2-(2,4-dimethylphenyl)-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide has a molecular weight of 359.45 g/mol, XLogP of 5.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide is sourced from PubChem (CID 2494721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).