N-(2-aminophenyl)-4-[[5-fluoro-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide

C24H19FN6OS — CID 25151788

IUPACN-(2-aminophenyl)-4-[[5-fluoro-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide
SMILESCc1nc2ccccn2c1-c1nc(Nc2ccc(C(=O)Nc3ccccc3N)cc2)sc1F
InChIInChI=1S/C24H19FN6OS/c1-14-21(31-13-5-4-8-19(31)27-14)20-22(25)33-24(30-20)28-16-11-9-15(10-12-16)23(32)29-18-7-3-2-6-17(18)26/h2-13H,26H2,1H3,(H,28,30)(H,29,32)
InChIKeyIFMRBOVWRYANDC-UHFFFAOYSA-N
MW458.52 g/mol
LogP5.48
Rot. Bonds5

About N-(2-aminophenyl)-4-[[5-fluoro-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide

N-(2-aminophenyl)-4-[[5-fluoro-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide (PubChem CID 25151788) has the molecular formula C24H19FN6OS and a molecular weight of 458.52 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[[5-fluoro-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-[[5-fluoro-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide
PubChem CID25151788
Molecular FormulaC24H19FN6OS
Molecular Weight458.52 g/mol
Exact Mass458.13
IUPAC NameN-(2-aminophenyl)-4-[[5-fluoro-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide
SMILESCc1nc2ccccn2c1-c1nc(Nc2ccc(C(=O)Nc3ccccc3N)cc2)sc1F
InChIInChI=1S/C24H19FN6OS/c1-14-21(31-13-5-4-8-19(31)27-14)20-22(25)33-24(30-20)28-16-11-9-15(10-12-16)23(32)29-18-7-3-2-6-17(18)26/h2-13H,26H2,1H3,(H,28,30)(H,29,32)
InChIKeyIFMRBOVWRYANDC-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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Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-[[5-fluoro-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide?
The IUPAC name of N-(2-aminophenyl)-4-[[5-fluoro-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide (CID 25151788) is N-(2-aminophenyl)-4-[[5-fluoro-4-(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-[[5-fluoro-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide?
The canonical SMILES for N-(2-aminophenyl)-4-[[5-fluoro-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide is Cc1nc2ccccn2c1-c1nc(Nc2ccc(C(=O)Nc3ccccc3N)cc2)sc1F.
What is the InChIKey of N-(2-aminophenyl)-4-[[5-fluoro-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide?
The InChIKey is IFMRBOVWRYANDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN6OS/c1-14-21(31-13-5-4-8-19(31)27-14)20-22(25)33-24(30-20)28-16-11-9-15(10-12-16)23(32)29-18-7-3-2-6-17(18)26/h2-13H,26H2,1H3,(H,28,30)(H,29,32).
What are the key properties of N-(2-aminophenyl)-4-[[5-fluoro-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide?
N-(2-aminophenyl)-4-[[5-fluoro-4-(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-[[5-fluoro-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide is sourced from PubChem (CID 25151788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).