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

C26H22N4OS — CID 58163684

IUPAC1-[3-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]-2-(2-methylphenyl)ethanone
SMILESCc1ccccc1CC(=O)c1cccc(Nc2nc(-c3c(C)nc4ccccn34)cs2)c1
InChIInChI=1S/C26H22N4OS/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/h3-14,16H,15H2,1-2H3,(H,28,29)
InChIKeyLDINQKDPOQHAMR-UHFFFAOYSA-N
MW438.56 g/mol
LogP6.24
Rot. Bonds6

About 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]-2-(2-methylphenyl)ethanone (PubChem CID 58163684) has the molecular formula C26H22N4OS and a molecular weight of 438.56 g/mol. Its IUPAC name is 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]-2-(2-methylphenyl)ethanone
PubChem CID58163684
Molecular FormulaC26H22N4OS
Molecular Weight438.56 g/mol
Exact Mass438.15
IUPAC Name1-[3-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]-2-(2-methylphenyl)ethanone
SMILESCc1ccccc1CC(=O)c1cccc(Nc2nc(-c3c(C)nc4ccccn34)cs2)c1
InChIInChI=1S/C26H22N4OS/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/h3-14,16H,15H2,1-2H3,(H,28,29)
InChIKeyLDINQKDPOQHAMR-UHFFFAOYSA-N
XLogP6.24
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.56
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzodioxol-5-yl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine
CID 44602760
1-[3-[[5-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]propan-1-one
CID 58163803
N-(2,6-dibromo-4-methoxyphenyl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine
CID 2877303
4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzenesulfonamide
CID 1117219
4-N,4-N-dimethyl-1-N-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]benzene-1,4-diamine;hydrobromide
CID 122509686
4-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzoic acid
CID 1117208
1-[3-[(5-imidazo[1,2-a]pyridin-3-yl-4-methyl-1,3-thiazol-2-yl)amino]phenyl]-2-(2-methyl-3-pyridinyl)ethanone
CID 58163776
4-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzoate
CID 6968515
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
methyl 3-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]benzoate
CID 59176943
4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-N-(2-methylphenyl)-1,3-thiazol-2-amine;hydrobromide
CID 126478311
N-hydroxy-3-[1-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]cyclopropyl]benzamide
CID 44623259

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]-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]-2-(2-methylphenyl)ethanone (CID 58163684) is 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]-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]-2-(2-methylphenyl)ethanone is 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]-2-(2-methylphenyl)ethanone?
The InChIKey is LDINQKDPOQHAMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4OS/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/h3-14,16H,15H2,1-2H3,(H,28,29).
What are the key properties of 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]-2-(2-methylphenyl)ethanone has a molecular weight of 438.56 g/mol, XLogP of 6.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 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]-2-(2-methylphenyl)ethanone is sourced from PubChem (CID 58163684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).