N-(2-aminophenyl)-4-[[4-(8-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide

C24H19FN6OS — CID 58163762

IUPACN-(2-aminophenyl)-4-[[4-(8-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide
SMILESCc1nc2c(F)cccn2c1-c1csc(Nc2ccc(C(=O)Nc3ccccc3N)cc2)n1
InChIInChI=1S/C24H19FN6OS/c1-14-21(31-12-4-5-17(25)22(31)27-14)20-13-33-24(30-20)28-16-10-8-15(9-11-16)23(32)29-19-7-3-2-6-18(19)26/h2-13H,26H2,1H3,(H,28,30)(H,29,32)
InChIKeyABPIQRQEAOAWPH-UHFFFAOYSA-N
MW458.52 g/mol
LogP5.48
Rot. Bonds5

About N-(2-aminophenyl)-4-[[4-(8-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide

N-(2-aminophenyl)-4-[[4-(8-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide (PubChem CID 58163762) has the molecular formula C24H19FN6OS and a molecular weight of 458.52 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[[4-(8-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-[[4-(8-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide
PubChem CID58163762
Molecular FormulaC24H19FN6OS
Molecular Weight458.52 g/mol
Exact Mass458.13
IUPAC NameN-(2-aminophenyl)-4-[[4-(8-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide
SMILESCc1nc2c(F)cccn2c1-c1csc(Nc2ccc(C(=O)Nc3ccccc3N)cc2)n1
InChIInChI=1S/C24H19FN6OS/c1-14-21(31-12-4-5-17(25)22(31)27-14)20-13-33-24(30-20)28-16-10-8-15(9-11-16)23(32)29-19-7-3-2-6-18(19)26/h2-13H,26H2,1H3,(H,28,30)(H,29,32)
InChIKeyABPIQRQEAOAWPH-UHFFFAOYSA-N
XLogP5.48
TPSA97.34 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.52
LogP ≤ 55.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[[4-(8-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]-N-methylbenzamide
CID 58163873
N-(4-amino-1-phenylpyrazol-3-yl)-4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide
CID 58163694
4-[[4-(7-cyano-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]-N-methylbenzamide;4-[[4-(7-cyano-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]-N-(2-methylphenyl)benzamide;methyl 3-[2-[4-[(2-aminophenyl)carbamoyl]anilino]-1,3-thiazol-4-yl]-2-methylimidazo[1,2-a]pyridine-7-carboxylate;methyl 2-methyl-3-[2-[4-(methylcarbamoyl)anilino]-1,3-thiazol-4-yl]imidazo[1,2-a]pyridine-7-carboxylate;N-methyl-4-[[4-[2-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-methylphenyl)-4-[[4-[2-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-methylphenyl)-4-[[4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-methyl-4-[[4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide
CID 162253822
1-N-[4-(2,8-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 57490502
N-(2-aminophenyl)-4-[[4-[5-(ethylaminomethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide
CID 58163728
N-(2-aminophenyl)-4-[[4-(7-imidazol-1-yloxyimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide
CID 58163785
N-(2-aminophenyl)-4-[[4-[7-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide
CID 25154045
4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzenesulfonamide
CID 1117219
4-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzoic acid
CID 1117208
methyl 4-[[4-(8-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]benzoate
CID 59176913
methyl 2-methyl-3-[2-[4-(methylcarbamoyl)anilino]-1,3-thiazol-4-yl]imidazo[1,2-a]pyridine-7-carboxylate
CID 58163718
3-[2-[1-[4-[(2-aminophenyl)carbamoyl]phenyl]cyclopentyl]-1,3-thiazol-4-yl]-2-methylimidazo[1,2-a]pyridine-7-carboxylic acid
CID 68611298

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-[[4-(8-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide?
The IUPAC name of N-(2-aminophenyl)-4-[[4-(8-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide (CID 58163762) is N-(2-aminophenyl)-4-[[4-(8-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide.
What is the SMILES notation for N-(2-aminophenyl)-4-[[4-(8-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide?
The canonical SMILES for N-(2-aminophenyl)-4-[[4-(8-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide is Cc1nc2c(F)cccn2c1-c1csc(Nc2ccc(C(=O)Nc3ccccc3N)cc2)n1.
What is the InChIKey of N-(2-aminophenyl)-4-[[4-(8-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide?
The InChIKey is ABPIQRQEAOAWPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN6OS/c1-14-21(31-12-4-5-17(25)22(31)27-14)20-13-33-24(30-20)28-16-10-8-15(9-11-16)23(32)29-19-7-3-2-6-18(19)26/h2-13H,26H2,1H3,(H,28,30)(H,29,32).
What are the key properties of N-(2-aminophenyl)-4-[[4-(8-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide?
N-(2-aminophenyl)-4-[[4-(8-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide has a molecular weight of 458.52 g/mol, XLogP of 5.48, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-[[4-(8-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide is sourced from PubChem (CID 58163762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).