1-[3-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]ethanone;1-[3-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]-2-(2-methylphenyl)ethanone

C45H38N8O2S2 — CID 123233278

IUPAC1-[3-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]ethanone;1-[3-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]-2-(2-methylphenyl)ethanone
SMILESCC(=O)c1cccc(Nc2nc(-c3c(C)nc4ccccn34)cs2)c1.Cc1ccccc1CC(=O)c1cccc(Nc2nc(-c3c(C)nc4ccccn34)cs2)c1
InChIInChI=1S/C26H22N4OS.C19H16N4OS/c1-17-8-3-4-9-19(17)15-23(31)20-10-7-11-21(14-20)28-26-29-22(16-32-26)25-18(2)27-24-12-5-6-13-30(24)25;1-12-18(23-9-4-3-8-17(23)20-12)16-11-25-19(22-16)21-15-7-5-6-14(10-15)13(2)24/h3-14,16H,15H2,1-2H3,(H,28,29);3-11H,1-2H3,(H,21,22)
InChIKeyDBNVTZACKTVHQJ-UHFFFAOYSA-N
MW786.99 g/mol
LogP10.96
Rot. Bonds10

About 1-[3-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]ethanone;1-[3-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]-2-(2-methylphenyl)ethanone

1-[3-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]ethanone;1-[3-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]-2-(2-methylphenyl)ethanone (PubChem CID 123233278) has the molecular formula C45H38N8O2S2 and a molecular weight of 786.99 g/mol. Its IUPAC name is 1-[3-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]ethanone;1-[3-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]-2-(2-methylphenyl)ethanone.

Molecular Properties

Compound Name1-[3-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]ethanone;1-[3-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]-2-(2-methylphenyl)ethanone
PubChem CID123233278
Molecular FormulaC45H38N8O2S2
Molecular Weight786.99 g/mol
Exact Mass786.26
IUPAC Name1-[3-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]ethanone;1-[3-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]-2-(2-methylphenyl)ethanone
SMILESCC(=O)c1cccc(Nc2nc(-c3c(C)nc4ccccn34)cs2)c1.Cc1ccccc1CC(=O)c1cccc(Nc2nc(-c3c(C)nc4ccccn34)cs2)c1
InChIInChI=1S/C26H22N4OS.C19H16N4OS/c1-17-8-3-4-9-19(17)15-23(31)20-10-7-11-21(14-20)28-26-29-22(16-32-26)25-18(2)27-24-12-5-6-13-30(24)25;1-12-18(23-9-4-3-8-17(23)20-12)16-11-25-19(22-16)21-15-7-5-6-14(10-15)13(2)24/h3-14,16H,15H2,1-2H3,(H,28,29);3-11H,1-2H3,(H,21,22)
InChIKeyDBNVTZACKTVHQJ-UHFFFAOYSA-N
XLogP10.96
TPSA118.58 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms57
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500786.99
LogP ≤ 510.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze 1-[3-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]ethanone;1-[3-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]-2-(2-methylphenyl)ethanone with MolForge

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Related Compounds

N-(4-(2-methylimidazo[1,2-a]pyridin-3-yl)thiazol-2-yl)-2-naphthamide
CID 44565893
1-(3-{[4-(2,7-Dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino}phenyl)ethanone
CID 1239383
2-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide
CID 90683833
[4-(2-cyclohexylethyl)-2-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-5-yl]-(2-methyl-1H-indol-3-yl)methanone
CID 4027799
(R)-(3-aminopiperidin-1-yl)(3-methyl-2-(1-((4-methylthiazol-2-yl)methyl)-1H-indol-2-yl)imidazo[1,2-a]pyridin-7-yl)methanone
CID 138565734
1-(3-{[4-(2-Methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino}phenyl)ethanone hydrobromide
CID 702675
1-(3-{[4-(2-Methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-yl]amino}phenyl)ethanone
CID 768035
Cambridge id 5933358
CID 2877409
N-[2,4-difluoro-3-[5-[2-(4-methylimidazol-1-yl)-1,3-thiazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide
CID 53262039
N-[2,4-difluoro-3-[5-[2-(2-methylimidazol-1-yl)-1,3-thiazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide
CID 53262100
N-[2,4-difluoro-3-[5-(2-imidazol-1-yl-1,3-thiazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide
CID 53262161
1-[4-[[4-(6-Fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]ethanone
CID 57490449

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]ethanone;1-[3-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]-2-(2-methylphenyl)ethanone?
The IUPAC name of 1-[3-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]ethanone;1-[3-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]-2-(2-methylphenyl)ethanone (CID 123233278) is 1-[3-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]ethanone;1-[3-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]-2-(2-methylphenyl)ethanone.
What is the SMILES notation for 1-[3-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]ethanone;1-[3-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]-2-(2-methylphenyl)ethanone?
The canonical SMILES for 1-[3-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]ethanone;1-[3-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]-2-(2-methylphenyl)ethanone is CC(=O)c1cccc(Nc2nc(-c3c(C)nc4ccccn34)cs2)c1.Cc1ccccc1CC(=O)c1cccc(Nc2nc(-c3c(C)nc4ccccn34)cs2)c1.
What is the InChIKey of 1-[3-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]ethanone;1-[3-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]-2-(2-methylphenyl)ethanone?
The InChIKey is DBNVTZACKTVHQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4OS.C19H16N4OS/c1-17-8-3-4-9-19(17)15-23(31)20-10-7-11-21(14-20)28-26-29-22(16-32-26)25-18(2)27-24-12-5-6-13-30(24)25;1-12-18(23-9-4-3-8-17(23)20-12)16-11-25-19(22-16)21-15-7-5-6-14(10-15)13(2)24/h3-14,16H,15H2,1-2H3,(H,28,29);3-11H,1-2H3,(H,21,22).
What are the key properties of 1-[3-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]ethanone;1-[3-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]-2-(2-methylphenyl)ethanone?
1-[3-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]ethanone;1-[3-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]-2-(2-methylphenyl)ethanone has a molecular weight of 786.99 g/mol, XLogP of 10.96, 10 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]ethanone;1-[3-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]-2-(2-methylphenyl)ethanone is sourced from PubChem (CID 123233278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).