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

C13H17N3OS — CID 117159822

IUPAC2-[3-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridin-2-yl]ethanol
SMILESOCCc1nc2cccnc2n1CC1CCSC1
InChIInChI=1S/C13H17N3OS/c17-6-3-12-15-11-2-1-5-14-13(11)16(12)8-10-4-7-18-9-10/h1-2,5,10,17H,3-4,6-9H2
InChIKeyYPSWEESSZDNIBY-UHFFFAOYSA-N
MW263.37 g/mol
LogP1.72
Rot. Bonds4

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

2-[3-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridin-2-yl]ethanol (PubChem CID 117159822) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is 2-[3-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridin-2-yl]ethanol.

Molecular Properties

Compound Name2-[3-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridin-2-yl]ethanol
PubChem CID117159822
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name2-[3-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridin-2-yl]ethanol
SMILESOCCc1nc2cccnc2n1CC1CCSC1
InChIInChI=1S/C13H17N3OS/c17-6-3-12-15-11-2-1-5-14-13(11)16(12)8-10-4-7-18-9-10/h1-2,5,10,17H,3-4,6-9H2
InChIKeyYPSWEESSZDNIBY-UHFFFAOYSA-N
XLogP1.72
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

3-[2-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridin-3-yl]propan-1-ol
CID 117161041
2-[3-[(1-ethylpyrrolidin-3-yl)methyl]imidazo[4,5-b]pyridin-2-yl]ethanol
CID 117159828
2-pyridin-2-yl-3-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117164787
2-[(1-methylpyrrolidin-2-yl)methyl]-3-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117163233
2-(piperidin-2-ylmethyl)-3-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117163643
2-(2-methylpropyl)-3-(thian-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117165668
2-(furan-2-yl)-3-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117164214
2-[3-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid
CID 107297120
2-(pyrrolidin-3-ylmethyl)-3-(thian-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117161141
2-(2-chloroethyl)-3-(cyclohexylmethyl)imidazo[4,5-b]pyridine
CID 79294577
2-(chloromethyl)-3-(cyclopropylmethyl)imidazo[4,5-b]pyridine
CID 69065688
N,N-dimethyl-2-[2-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridin-3-yl]ethanamine
CID 117161453

Frequently Asked Questions

What is the IUPAC name of 2-[3-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridin-2-yl]ethanol?
The IUPAC name of 2-[3-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridin-2-yl]ethanol (CID 117159822) is 2-[3-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridin-2-yl]ethanol.
What is the SMILES notation for 2-[3-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridin-2-yl]ethanol?
The canonical SMILES for 2-[3-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridin-2-yl]ethanol is OCCc1nc2cccnc2n1CC1CCSC1.
What is the InChIKey of 2-[3-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridin-2-yl]ethanol?
The InChIKey is YPSWEESSZDNIBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c17-6-3-12-15-11-2-1-5-14-13(11)16(12)8-10-4-7-18-9-10/h1-2,5,10,17H,3-4,6-9H2.
What are the key properties of 2-[3-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridin-2-yl]ethanol?
2-[3-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridin-2-yl]ethanol has a molecular weight of 263.37 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridin-2-yl]ethanol is sourced from PubChem (CID 117159822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).