2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-1-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]ethanone

C17H14ClFN4OS2 — CID 41015453

IUPAC2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-1-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]ethanone
SMILESO=C(CSc1nc2ncc(Cl)cc2[nH]1)N1CCS[C@H]1c1ccccc1F
InChIInChI=1S/C17H14ClFN4OS2/c18-10-7-13-15(20-8-10)22-17(21-13)26-9-14(24)23-5-6-25-16(23)11-3-1-2-4-12(11)19/h1-4,7-8,16H,5-6,9H2,(H,20,21,22)/t16-/m0/s1
InChIKeyOBXYAGFJRWUCBW-INIZCTEOSA-N
MW408.91 g/mol
LogP4.12
Rot. Bonds4

About 2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-1-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]ethanone

2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-1-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]ethanone (PubChem CID 41015453) has the molecular formula C17H14ClFN4OS2 and a molecular weight of 408.91 g/mol. Its IUPAC name is 2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-1-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]ethanone.

Molecular Properties

Compound Name2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-1-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]ethanone
PubChem CID41015453
Molecular FormulaC17H14ClFN4OS2
Molecular Weight408.91 g/mol
Exact Mass408.03
IUPAC Name2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-1-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]ethanone
SMILESO=C(CSc1nc2ncc(Cl)cc2[nH]1)N1CCS[C@H]1c1ccccc1F
InChIInChI=1S/C17H14ClFN4OS2/c18-10-7-13-15(20-8-10)22-17(21-13)26-9-14(24)23-5-6-25-16(23)11-3-1-2-4-12(11)19/h1-4,7-8,16H,5-6,9H2,(H,20,21,22)/t16-/m0/s1
InChIKeyOBXYAGFJRWUCBW-INIZCTEOSA-N
XLogP4.12
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.91
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-1-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-1-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 7624451
1-[(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone
CID 9322175
2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-1-(3-methylpiperidin-1-yl)ethanone
CID 17439366
2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-1-[(3R)-3-methylpiperidin-1-yl]ethanone
CID 7624804
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]ethanone
CID 9362611
2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(3,4-difluorophenyl)acetamide
CID 3800639
1-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-phenoxyethanone
CID 7482427
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-1-[(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]ethanone
CID 9248185
1-[(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 40744533
2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-[(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]ethanone
CID 40971974
3-(2-fluorophenyl)-2-[2-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]sulfanylquinazolin-4-one
CID 41355080
2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 9362210

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-1-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]ethanone?
The IUPAC name of 2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-1-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]ethanone (CID 41015453) is 2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-1-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]ethanone.
What is the SMILES notation for 2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-1-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]ethanone?
The canonical SMILES for 2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-1-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]ethanone is O=C(CSc1nc2ncc(Cl)cc2[nH]1)N1CCS[C@H]1c1ccccc1F.
What is the InChIKey of 2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-1-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]ethanone?
The InChIKey is OBXYAGFJRWUCBW-INIZCTEOSA-N. The full InChI is InChI=1S/C17H14ClFN4OS2/c18-10-7-13-15(20-8-10)22-17(21-13)26-9-14(24)23-5-6-25-16(23)11-3-1-2-4-12(11)19/h1-4,7-8,16H,5-6,9H2,(H,20,21,22)/t16-/m0/s1.
What are the key properties of 2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-1-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]ethanone?
2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-1-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]ethanone has a molecular weight of 408.91 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-1-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]ethanone is sourced from PubChem (CID 41015453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).