2-(4-methylphenyl)-N-quinolin-3-yl-1,3-thiazole-4-carboxamide

C20H15N3OS — CID 22830902

IUPAC2-(4-methylphenyl)-N-quinolin-3-yl-1,3-thiazole-4-carboxamide
SMILESCc1ccc(-c2nc(C(=O)Nc3cnc4ccccc4c3)cs2)cc1
InChIInChI=1S/C20H15N3OS/c1-13-6-8-14(9-7-13)20-23-18(12-25-20)19(24)22-16-10-15-4-2-3-5-17(15)21-11-16/h2-12H,1H3,(H,22,24)
InChIKeyHTFFEDNNODZKTI-UHFFFAOYSA-N
MW345.43 g/mol
LogP4.92
Rot. Bonds3

About 2-(4-methylphenyl)-N-quinolin-3-yl-1,3-thiazole-4-carboxamide

2-(4-methylphenyl)-N-quinolin-3-yl-1,3-thiazole-4-carboxamide (PubChem CID 22830902) has the molecular formula C20H15N3OS and a molecular weight of 345.43 g/mol. Its IUPAC name is 2-(4-methylphenyl)-N-quinolin-3-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-methylphenyl)-N-quinolin-3-yl-1,3-thiazole-4-carboxamide
PubChem CID22830902
Molecular FormulaC20H15N3OS
Molecular Weight345.43 g/mol
Exact Mass345.09
IUPAC Name2-(4-methylphenyl)-N-quinolin-3-yl-1,3-thiazole-4-carboxamide
SMILESCc1ccc(-c2nc(C(=O)Nc3cnc4ccccc4c3)cs2)cc1
InChIInChI=1S/C20H15N3OS/c1-13-6-8-14(9-7-13)20-23-18(12-25-20)19(24)22-16-10-15-4-2-3-5-17(15)21-11-16/h2-12H,1H3,(H,22,24)
InChIKeyHTFFEDNNODZKTI-UHFFFAOYSA-N
XLogP4.92
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.43
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-quinolin-3-ylbenzamide
CID 974969
N-(3-hydroxy-2-pyridinyl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 18109513
2-(quinolin-3-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid
CID 116697062
N-(1H-benzimidazol-2-yl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 27649612
N-(1H-indol-5-yl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 143403398
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 56507438
N-(2,4-difluorophenyl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 4529483
2-(3-ethoxyphenyl)-N-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 46066487
2,4,5-trimethyl-N-quinolin-3-ylfuran-3-carboxamide
CID 32840046
2-(4-methylphenyl)-N-[4-(propan-2-ylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 55865804
N-(2-fluoro-4-methylphenyl)-2-(4-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 9455109
2-(4-fluorophenyl)-N-[3-(methylsulfanylamino)phenyl]-1,3-thiazole-4-carboxamide
CID 169152175

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-N-quinolin-3-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(4-methylphenyl)-N-quinolin-3-yl-1,3-thiazole-4-carboxamide (CID 22830902) is 2-(4-methylphenyl)-N-quinolin-3-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(4-methylphenyl)-N-quinolin-3-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(4-methylphenyl)-N-quinolin-3-yl-1,3-thiazole-4-carboxamide is Cc1ccc(-c2nc(C(=O)Nc3cnc4ccccc4c3)cs2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-N-quinolin-3-yl-1,3-thiazole-4-carboxamide?
The InChIKey is HTFFEDNNODZKTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3OS/c1-13-6-8-14(9-7-13)20-23-18(12-25-20)19(24)22-16-10-15-4-2-3-5-17(15)21-11-16/h2-12H,1H3,(H,22,24).
What are the key properties of 2-(4-methylphenyl)-N-quinolin-3-yl-1,3-thiazole-4-carboxamide?
2-(4-methylphenyl)-N-quinolin-3-yl-1,3-thiazole-4-carboxamide has a molecular weight of 345.43 g/mol, XLogP of 4.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-N-quinolin-3-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 22830902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).