2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide

C13H15ClN4O2S — CID 40652484

IUPAC2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
SMILESO=C(CSc1nc2ncc(Cl)cc2[nH]1)NC[C@@H]1CCCO1
InChIInChI=1S/C13H15ClN4O2S/c14-8-4-10-12(16-5-8)18-13(17-10)21-7-11(19)15-6-9-2-1-3-20-9/h4-5,9H,1-3,6-7H2,(H,15,19)(H,16,17,18)/t9-/m0/s1
InChIKeyYKOXZUBWYUJEMF-VIFPVBQESA-N
MW326.81 g/mol
LogP2.00
Rot. Bonds5

About 2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide

2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide (PubChem CID 40652484) has the molecular formula C13H15ClN4O2S and a molecular weight of 326.81 g/mol. Its IUPAC name is 2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
PubChem CID40652484
Molecular FormulaC13H15ClN4O2S
Molecular Weight326.81 g/mol
Exact Mass326.06
IUPAC Name2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
SMILESO=C(CSc1nc2ncc(Cl)cc2[nH]1)NC[C@@H]1CCCO1
InChIInChI=1S/C13H15ClN4O2S/c14-8-4-10-12(16-5-8)18-13(17-10)21-7-11(19)15-6-9-2-1-3-20-9/h4-5,9H,1-3,6-7H2,(H,15,19)(H,16,17,18)/t9-/m0/s1
InChIKeyYKOXZUBWYUJEMF-VIFPVBQESA-N
XLogP2.00
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.81
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide with MolForge

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Related Compounds

2-[(5-ethyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(oxolan-2-ylmethyl)acetamide
CID 5056915
2-[[5-[(3,4-dichlorophenyl)methyl]-4-hydroxy-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide
CID 66522529
2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 7183957
N-(oxolan-2-ylmethyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide
CID 135547329
N-[[(2S)-oxolan-2-yl]methyl]-2-[(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
CID 41073544
2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(propan-2-ylcarbamoyl)acetamide
CID 7624335
2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-[(1S)-1-cyano-1-cyclopropylethyl]acetamide
CID 7624600
N-[4-amino-6-oxo-2-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]sulfanyl-1H-pyrimidin-5-yl]-3,4-difluorobenzamide
CID 135958336
2-[[2-(4-chlorophenyl)-5-(4-methylphenyl)-1H-imidazol-4-yl]sulfanyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 51439694
2-[[5-(4-chlorophenyl)-2-(4-fluorophenyl)-1H-imidazol-4-yl]sulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 51467200
N-[[(2S)-oxolan-2-yl]methyl]-2-[(2-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-yl)sulfanyl]acetamide
CID 7185369
2-(4-chlorophenyl)sulfanyl-N-[[(2R)-oxan-2-yl]methyl]acetamide
CID 94201113

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The IUPAC name of 2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide (CID 40652484) is 2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide.
What is the SMILES notation for 2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The canonical SMILES for 2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide is O=C(CSc1nc2ncc(Cl)cc2[nH]1)NC[C@@H]1CCCO1.
What is the InChIKey of 2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The InChIKey is YKOXZUBWYUJEMF-VIFPVBQESA-N. The full InChI is InChI=1S/C13H15ClN4O2S/c14-8-4-10-12(16-5-8)18-13(17-10)21-7-11(19)15-6-9-2-1-3-20-9/h4-5,9H,1-3,6-7H2,(H,15,19)(H,16,17,18)/t9-/m0/s1.
What are the key properties of 2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide has a molecular weight of 326.81 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 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]-N-[[(2S)-oxolan-2-yl]methyl]acetamide is sourced from PubChem (CID 40652484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).