N-(2-aminophenyl)-4-[[4-(6-cyclobutyloxyimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide

C27H24N6O2S — CID 25151223

IUPACN-(2-aminophenyl)-4-[[4-(6-cyclobutyloxyimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide
SMILESNc1ccccc1NC(=O)c1ccc(Nc2nc(-c3cnc4ccc(OC5CCC5)cn34)cs2)cc1
InChIInChI=1S/C27H24N6O2S/c28-21-6-1-2-7-22(21)31-26(34)17-8-10-18(11-9-17)30-27-32-23(16-36-27)24-14-29-25-13-12-20(15-33(24)25)35-19-4-3-5-19/h1-2,6-16,19H,3-5,28H2,(H,30,32)(H,31,34)
InChIKeyHIBOTQJBQZSKAR-UHFFFAOYSA-N
MW496.60 g/mol
LogP5.97
Rot. Bonds7

About N-(2-aminophenyl)-4-[[4-(6-cyclobutyloxyimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide

N-(2-aminophenyl)-4-[[4-(6-cyclobutyloxyimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide (PubChem CID 25151223) has the molecular formula C27H24N6O2S and a molecular weight of 496.60 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[[4-(6-cyclobutyloxyimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-[[4-(6-cyclobutyloxyimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide
PubChem CID25151223
Molecular FormulaC27H24N6O2S
Molecular Weight496.60 g/mol
Exact Mass496.17
IUPAC NameN-(2-aminophenyl)-4-[[4-(6-cyclobutyloxyimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide
SMILESNc1ccccc1NC(=O)c1ccc(Nc2nc(-c3cnc4ccc(OC5CCC5)cn34)cs2)cc1
InChIInChI=1S/C27H24N6O2S/c28-21-6-1-2-7-22(21)31-26(34)17-8-10-18(11-9-17)30-27-32-23(16-36-27)24-14-29-25-13-12-20(15-33(24)25)35-19-4-3-5-19/h1-2,6-16,19H,3-5,28H2,(H,30,32)(H,31,34)
InChIKeyHIBOTQJBQZSKAR-UHFFFAOYSA-N
XLogP5.97
TPSA106.57 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.60
LogP ≤ 55.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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-[[4-(6-cyclobutyloxyimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide?
The IUPAC name of N-(2-aminophenyl)-4-[[4-(6-cyclobutyloxyimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide (CID 25151223) is N-(2-aminophenyl)-4-[[4-(6-cyclobutyloxyimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide.
What is the SMILES notation for N-(2-aminophenyl)-4-[[4-(6-cyclobutyloxyimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide?
The canonical SMILES for N-(2-aminophenyl)-4-[[4-(6-cyclobutyloxyimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide is Nc1ccccc1NC(=O)c1ccc(Nc2nc(-c3cnc4ccc(OC5CCC5)cn34)cs2)cc1.
What is the InChIKey of N-(2-aminophenyl)-4-[[4-(6-cyclobutyloxyimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide?
The InChIKey is HIBOTQJBQZSKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N6O2S/c28-21-6-1-2-7-22(21)31-26(34)17-8-10-18(11-9-17)30-27-32-23(16-36-27)24-14-29-25-13-12-20(15-33(24)25)35-19-4-3-5-19/h1-2,6-16,19H,3-5,28H2,(H,30,32)(H,31,34).
What are the key properties of N-(2-aminophenyl)-4-[[4-(6-cyclobutyloxyimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide?
N-(2-aminophenyl)-4-[[4-(6-cyclobutyloxyimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide has a molecular weight of 496.60 g/mol, XLogP of 5.97, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-[[4-(6-cyclobutyloxyimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide is sourced from PubChem (CID 25151223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).