1-[5-[[4-(5-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]thiophen-2-yl]-2-(2-methyl-3-pyridinyl)ethanone

C23H18ClN5OS2 — CID 58163769

IUPAC1-[5-[[4-(5-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]thiophen-2-yl]-2-(2-methyl-3-pyridinyl)ethanone
SMILESCc1ncccc1CC(=O)c1ccc(Nc2nc(-c3c(C)nc4cccc(Cl)n34)cs2)s1
InChIInChI=1S/C23H18ClN5OS2/c1-13-15(5-4-10-25-13)11-17(30)18-8-9-21(32-18)28-23-27-16(12-31-23)22-14(2)26-20-7-3-6-19(24)29(20)22/h3-10,12H,11H2,1-2H3,(H,27,28)
InChIKeyXZPYJGKQJOJNCP-UHFFFAOYSA-N
MW480.02 g/mol
LogP6.35
Rot. Bonds6

About 1-[5-[[4-(5-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]thiophen-2-yl]-2-(2-methyl-3-pyridinyl)ethanone

1-[5-[[4-(5-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]thiophen-2-yl]-2-(2-methyl-3-pyridinyl)ethanone (PubChem CID 58163769) has the molecular formula C23H18ClN5OS2 and a molecular weight of 480.02 g/mol. Its IUPAC name is 1-[5-[[4-(5-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]thiophen-2-yl]-2-(2-methyl-3-pyridinyl)ethanone.

Molecular Properties

Compound Name1-[5-[[4-(5-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]thiophen-2-yl]-2-(2-methyl-3-pyridinyl)ethanone
PubChem CID58163769
Molecular FormulaC23H18ClN5OS2
Molecular Weight480.02 g/mol
Exact Mass479.06
IUPAC Name1-[5-[[4-(5-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]thiophen-2-yl]-2-(2-methyl-3-pyridinyl)ethanone
SMILESCc1ncccc1CC(=O)c1ccc(Nc2nc(-c3c(C)nc4cccc(Cl)n34)cs2)s1
InChIInChI=1S/C23H18ClN5OS2/c1-13-15(5-4-10-25-13)11-17(30)18-8-9-21(32-18)28-23-27-16(12-31-23)22-14(2)26-20-7-3-6-19(24)29(20)22/h3-10,12H,11H2,1-2H3,(H,27,28)
InChIKeyXZPYJGKQJOJNCP-UHFFFAOYSA-N
XLogP6.35
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.02
LogP ≤ 56.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 1-[5-[[4-(5-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]thiophen-2-yl]-2-(2-methyl-3-pyridinyl)ethanone with MolForge

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Related Compounds

4-chloro-N-(2-(2-thienyl)imidazo(1,2-a)pyridin-3-yl)benzamide
CID 979718
4-chloro-N-[6-methyl-2-(thiophen-2-yl)imidazo[1,2-a]pyridin-3-yl]benzamide
CID 979726
3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-N-(2-hydroxyethyl)imidazo[1,2-a]pyridine-6-carboxamide
CID 90420708
1-propan-2-yl-N-pyridin-3-yl-6-thiophen-2-ylpyrrolo[2,3-b]pyridine-4-carboxamide
CID 137638641
4-[8-amino-3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl]-3-chloro-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 90283148
2-ethyl-3-[methyl(1,3-thiazol-2-ylmethyl)amino]-N-(2-pyridin-2-ylethyl)imidazo[1,2-a]pyridine-6-carboxamide
CID 46942984
[2-Chloro-4-[(6-methyl-3-thiophen-2-ylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]-piperazin-1-ylmethanone
CID 56658690
[2-Chloro-4-[(6-methyl-3-thiophen-3-ylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]-piperazin-1-ylmethanone
CID 56665628
Ethyl 4-[[3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethylimidazo[1,2-a]pyridine-6-carbonyl]amino]piperidine-1-carboxylate
CID 137641326
4-chloro-N-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]benzamide
CID 121476942
1-(3-{[4-(2,7-Dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino}phenyl)ethanone
CID 1239383
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide
CID 90683820

Frequently Asked Questions

What is the IUPAC name of 1-[5-[[4-(5-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]thiophen-2-yl]-2-(2-methyl-3-pyridinyl)ethanone?
The IUPAC name of 1-[5-[[4-(5-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]thiophen-2-yl]-2-(2-methyl-3-pyridinyl)ethanone (CID 58163769) is 1-[5-[[4-(5-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]thiophen-2-yl]-2-(2-methyl-3-pyridinyl)ethanone.
What is the SMILES notation for 1-[5-[[4-(5-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]thiophen-2-yl]-2-(2-methyl-3-pyridinyl)ethanone?
The canonical SMILES for 1-[5-[[4-(5-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]thiophen-2-yl]-2-(2-methyl-3-pyridinyl)ethanone is Cc1ncccc1CC(=O)c1ccc(Nc2nc(-c3c(C)nc4cccc(Cl)n34)cs2)s1.
What is the InChIKey of 1-[5-[[4-(5-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]thiophen-2-yl]-2-(2-methyl-3-pyridinyl)ethanone?
The InChIKey is XZPYJGKQJOJNCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN5OS2/c1-13-15(5-4-10-25-13)11-17(30)18-8-9-21(32-18)28-23-27-16(12-31-23)22-14(2)26-20-7-3-6-19(24)29(20)22/h3-10,12H,11H2,1-2H3,(H,27,28).
What are the key properties of 1-[5-[[4-(5-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]thiophen-2-yl]-2-(2-methyl-3-pyridinyl)ethanone?
1-[5-[[4-(5-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]thiophen-2-yl]-2-(2-methyl-3-pyridinyl)ethanone has a molecular weight of 480.02 g/mol, XLogP of 6.35, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[[4-(5-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]thiophen-2-yl]-2-(2-methyl-3-pyridinyl)ethanone is sourced from PubChem (CID 58163769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).