3-propan-2-yl-2-(thiolan-2-yl)imidazo[4,5-b]pyridine

C13H17N3S — CID 117162583

IUPAC3-propan-2-yl-2-(thiolan-2-yl)imidazo[4,5-b]pyridine
SMILESCC(C)n1c(C2CCCS2)nc2cccnc21
InChIInChI=1S/C13H17N3S/c1-9(2)16-12-10(5-3-7-14-12)15-13(16)11-6-4-8-17-11/h3,5,7,9,11H,4,6,8H2,1-2H3
InChIKeyYYPXTMAWSYSGQC-UHFFFAOYSA-N
MW247.37 g/mol
LogP3.58
Rot. Bonds2

About 3-propan-2-yl-2-(thiolan-2-yl)imidazo[4,5-b]pyridine

3-propan-2-yl-2-(thiolan-2-yl)imidazo[4,5-b]pyridine (PubChem CID 117162583) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is 3-propan-2-yl-2-(thiolan-2-yl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-propan-2-yl-2-(thiolan-2-yl)imidazo[4,5-b]pyridine
PubChem CID117162583
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC Name3-propan-2-yl-2-(thiolan-2-yl)imidazo[4,5-b]pyridine
SMILESCC(C)n1c(C2CCCS2)nc2cccnc21
InChIInChI=1S/C13H17N3S/c1-9(2)16-12-10(5-3-7-14-12)15-13(16)11-6-4-8-17-11/h3,5,7,9,11H,4,6,8H2,1-2H3
InChIKeyYYPXTMAWSYSGQC-UHFFFAOYSA-N
XLogP3.58
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-propyl-2-(thiolan-2-yl)imidazo[4,5-b]pyridine
CID 117162552
3-(2-methylphenyl)-2-(thiolan-2-yl)imidazo[4,5-b]pyridine
CID 117162624
2-[2-(thiolan-2-yl)imidazo[4,5-b]pyridin-3-yl]ethanol
CID 117162166
3-(oxan-2-yl)-2-(thiolan-2-yl)imidazo[4,5-b]pyridine
CID 117162355
3-pyridin-3-yl-2-(thiolan-2-yl)imidazo[4,5-b]pyridine
CID 117162481
3-(1-ethylpiperidin-4-yl)-2-(thiolan-2-yl)imidazo[4,5-b]pyridine
CID 117162220
N,N-dimethyl-2-[2-(thian-2-yl)imidazo[4,5-b]pyridin-3-yl]ethanamine
CID 117163129
3-[(1-methylpiperidin-3-yl)methyl]-2-(thiolan-2-yl)imidazo[4,5-b]pyridine
CID 117162433
3-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)thiomorpholine
CID 82904097
3-(oxolan-3-ylmethyl)-2-(thiolan-2-yl)imidazo[4,5-b]pyridine
CID 117162242
3-[(2-fluorophenyl)methyl]-2-(thiolan-2-yl)imidazo[4,5-b]pyridine
CID 117162519
3-[(1-methylpyrrolidin-2-yl)methyl]-2-(thian-2-yl)imidazo[4,5-b]pyridine
CID 117162907

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-2-(thiolan-2-yl)imidazo[4,5-b]pyridine?
The IUPAC name of 3-propan-2-yl-2-(thiolan-2-yl)imidazo[4,5-b]pyridine (CID 117162583) is 3-propan-2-yl-2-(thiolan-2-yl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-propan-2-yl-2-(thiolan-2-yl)imidazo[4,5-b]pyridine?
The canonical SMILES for 3-propan-2-yl-2-(thiolan-2-yl)imidazo[4,5-b]pyridine is CC(C)n1c(C2CCCS2)nc2cccnc21.
What is the InChIKey of 3-propan-2-yl-2-(thiolan-2-yl)imidazo[4,5-b]pyridine?
The InChIKey is YYPXTMAWSYSGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-9(2)16-12-10(5-3-7-14-12)15-13(16)11-6-4-8-17-11/h3,5,7,9,11H,4,6,8H2,1-2H3.
What are the key properties of 3-propan-2-yl-2-(thiolan-2-yl)imidazo[4,5-b]pyridine?
3-propan-2-yl-2-(thiolan-2-yl)imidazo[4,5-b]pyridine has a molecular weight of 247.37 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-2-(thiolan-2-yl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 117162583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).