2-[2-(thiolan-2-yl)imidazo[4,5-b]pyridin-3-yl]ethanol

C12H15N3OS — CID 117162166

IUPAC2-[2-(thiolan-2-yl)imidazo[4,5-b]pyridin-3-yl]ethanol
SMILESOCCn1c(C2CCCS2)nc2cccnc21
InChIInChI=1S/C12H15N3OS/c16-7-6-15-11-9(3-1-5-13-11)14-12(15)10-4-2-8-17-10/h1,3,5,10,16H,2,4,6-8H2
InChIKeySXTBPERTINHMGY-UHFFFAOYSA-N
MW249.34 g/mol
LogP1.99
Rot. Bonds3

About 2-[2-(thiolan-2-yl)imidazo[4,5-b]pyridin-3-yl]ethanol

2-[2-(thiolan-2-yl)imidazo[4,5-b]pyridin-3-yl]ethanol (PubChem CID 117162166) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is 2-[2-(thiolan-2-yl)imidazo[4,5-b]pyridin-3-yl]ethanol.

Molecular Properties

Compound Name2-[2-(thiolan-2-yl)imidazo[4,5-b]pyridin-3-yl]ethanol
PubChem CID117162166
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC Name2-[2-(thiolan-2-yl)imidazo[4,5-b]pyridin-3-yl]ethanol
SMILESOCCn1c(C2CCCS2)nc2cccnc21
InChIInChI=1S/C12H15N3OS/c16-7-6-15-11-9(3-1-5-13-11)14-12(15)10-4-2-8-17-10/h1,3,5,10,16H,2,4,6-8H2
InChIKeySXTBPERTINHMGY-UHFFFAOYSA-N
XLogP1.99
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-propyl-2-(thiolan-2-yl)imidazo[4,5-b]pyridine
CID 117162552
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-(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
3-(oxan-3-ylmethyl)-2-(thiolan-2-yl)imidazo[4,5-b]pyridine
CID 117162430
2-[2-(1-ethylpyrrolidin-2-yl)imidazo[4,5-b]pyridin-3-yl]ethanol
CID 117162171
3-(pyrrolidin-3-ylmethyl)-2-(thian-2-yl)imidazo[4,5-b]pyridine
CID 117162806
3-propan-2-yl-2-(thiolan-2-yl)imidazo[4,5-b]pyridine
CID 117162583
3-(oxan-2-yl)-2-(thiolan-2-yl)imidazo[4,5-b]pyridine
CID 117162355
3-(2-methylphenyl)-2-(thiolan-2-yl)imidazo[4,5-b]pyridine
CID 117162624

Frequently Asked Questions

What is the IUPAC name of 2-[2-(thiolan-2-yl)imidazo[4,5-b]pyridin-3-yl]ethanol?
The IUPAC name of 2-[2-(thiolan-2-yl)imidazo[4,5-b]pyridin-3-yl]ethanol (CID 117162166) is 2-[2-(thiolan-2-yl)imidazo[4,5-b]pyridin-3-yl]ethanol.
What is the SMILES notation for 2-[2-(thiolan-2-yl)imidazo[4,5-b]pyridin-3-yl]ethanol?
The canonical SMILES for 2-[2-(thiolan-2-yl)imidazo[4,5-b]pyridin-3-yl]ethanol is OCCn1c(C2CCCS2)nc2cccnc21.
What is the InChIKey of 2-[2-(thiolan-2-yl)imidazo[4,5-b]pyridin-3-yl]ethanol?
The InChIKey is SXTBPERTINHMGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c16-7-6-15-11-9(3-1-5-13-11)14-12(15)10-4-2-8-17-10/h1,3,5,10,16H,2,4,6-8H2.
What are the key properties of 2-[2-(thiolan-2-yl)imidazo[4,5-b]pyridin-3-yl]ethanol?
2-[2-(thiolan-2-yl)imidazo[4,5-b]pyridin-3-yl]ethanol has a molecular weight of 249.34 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(thiolan-2-yl)imidazo[4,5-b]pyridin-3-yl]ethanol is sourced from PubChem (CID 117162166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).