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

C25H22N6O2S — CID 58163710

IUPACN-(2-aminophenyl)-4-[[4-(8-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide
SMILESCOc1cccn2c(-c3csc(Nc4ccc(C(=O)Nc5ccccc5N)cc4)n3)c(C)nc12
InChIInChI=1S/C25H22N6O2S/c1-15-22(31-13-5-8-21(33-2)23(31)27-15)20-14-34-25(30-20)28-17-11-9-16(10-12-17)24(32)29-19-7-4-3-6-18(19)26/h3-14H,26H2,1-2H3,(H,28,30)(H,29,32)
InChIKeyMNCVHVXHJCNDSU-UHFFFAOYSA-N
MW470.56 g/mol
LogP5.35
Rot. Bonds6

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

N-(2-aminophenyl)-4-[[4-(8-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide (PubChem CID 58163710) has the molecular formula C25H22N6O2S and a molecular weight of 470.56 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[[4-(8-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-[[4-(8-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide
PubChem CID58163710
Molecular FormulaC25H22N6O2S
Molecular Weight470.56 g/mol
Exact Mass470.15
IUPAC NameN-(2-aminophenyl)-4-[[4-(8-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide
SMILESCOc1cccn2c(-c3csc(Nc4ccc(C(=O)Nc5ccccc5N)cc4)n3)c(C)nc12
InChIInChI=1S/C25H22N6O2S/c1-15-22(31-13-5-8-21(33-2)23(31)27-15)20-14-34-25(30-20)28-17-11-9-16(10-12-17)24(32)29-19-7-4-3-6-18(19)26/h3-14H,26H2,1-2H3,(H,28,30)(H,29,32)
InChIKeyMNCVHVXHJCNDSU-UHFFFAOYSA-N
XLogP5.35
TPSA106.57 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.56
LogP ≤ 55.35
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-(8-methoxy-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-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide (CID 58163710) is N-(2-aminophenyl)-4-[[4-(8-methoxy-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-methoxy-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-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide is COc1cccn2c(-c3csc(Nc4ccc(C(=O)Nc5ccccc5N)cc4)n3)c(C)nc12.
What is the InChIKey of N-(2-aminophenyl)-4-[[4-(8-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide?
The InChIKey is MNCVHVXHJCNDSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N6O2S/c1-15-22(31-13-5-8-21(33-2)23(31)27-15)20-14-34-25(30-20)28-17-11-9-16(10-12-17)24(32)29-19-7-4-3-6-18(19)26/h3-14H,26H2,1-2H3,(H,28,30)(H,29,32).
What are the key properties of N-(2-aminophenyl)-4-[[4-(8-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide?
N-(2-aminophenyl)-4-[[4-(8-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide has a molecular weight of 470.56 g/mol, XLogP of 5.35, 6 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-(8-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide is sourced from PubChem (CID 58163710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).