3-[2-(thiolan-3-yl)imidazo[4,5-b]pyridin-3-yl]propan-1-ol

C13H17N3OS — CID 117160041

IUPAC3-[2-(thiolan-3-yl)imidazo[4,5-b]pyridin-3-yl]propan-1-ol
SMILESOCCCn1c(C2CCSC2)nc2cccnc21
InChIInChI=1S/C13H17N3OS/c17-7-2-6-16-12(10-4-8-18-9-10)15-11-3-1-5-14-13(11)16/h1,3,5,10,17H,2,4,6-9H2
InChIKeyJLDSDFUHRJKKDW-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.03
Rot. Bonds4

About 3-[2-(thiolan-3-yl)imidazo[4,5-b]pyridin-3-yl]propan-1-ol

3-[2-(thiolan-3-yl)imidazo[4,5-b]pyridin-3-yl]propan-1-ol (PubChem CID 117160041) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is 3-[2-(thiolan-3-yl)imidazo[4,5-b]pyridin-3-yl]propan-1-ol.

Molecular Properties

Compound Name3-[2-(thiolan-3-yl)imidazo[4,5-b]pyridin-3-yl]propan-1-ol
PubChem CID117160041
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name3-[2-(thiolan-3-yl)imidazo[4,5-b]pyridin-3-yl]propan-1-ol
SMILESOCCCn1c(C2CCSC2)nc2cccnc21
InChIInChI=1S/C13H17N3OS/c17-7-2-6-16-12(10-4-8-18-9-10)15-11-3-1-5-14-13(11)16/h1,3,5,10,17H,2,4,6-9H2
InChIKeyJLDSDFUHRJKKDW-UHFFFAOYSA-N
XLogP2.03
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 ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-propyl-2-(thiolan-3-yl)imidazo[4,5-b]pyridine
CID 117160449
3-[2-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridin-3-yl]propan-1-ol
CID 117161041
4-[[2-(thiolan-3-yl)imidazo[4,5-b]pyridin-3-yl]methyl]phenol
CID 117160431
3-(oxan-2-ylmethyl)-2-(thiolan-3-yl)imidazo[4,5-b]pyridine
CID 117160304
2-(thian-3-yl)-3-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117161914
3-[(1-methylpyrrolidin-3-yl)methyl]-2-(thian-3-yl)imidazo[4,5-b]pyridine
CID 117161816
2-[2-(thiolan-2-yl)imidazo[4,5-b]pyridin-3-yl]ethanol
CID 117162166
2-[3-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridin-2-yl]ethanol
CID 117159822
3-pyridin-3-yl-2-(thiolan-3-yl)imidazo[4,5-b]pyridine
CID 117160375
3-(oxan-2-yl)-2-(thian-3-yl)imidazo[4,5-b]pyridine
CID 117161893
2-(oxan-2-yl)-3-(thiolan-3-yl)imidazo[4,5-b]pyridine
CID 117162755
3-[2-(oxan-4-ylmethyl)imidazo[4,5-b]pyridin-3-yl]propan-1-ol
CID 117161472

Frequently Asked Questions

What is the IUPAC name of 3-[2-(thiolan-3-yl)imidazo[4,5-b]pyridin-3-yl]propan-1-ol?
The IUPAC name of 3-[2-(thiolan-3-yl)imidazo[4,5-b]pyridin-3-yl]propan-1-ol (CID 117160041) is 3-[2-(thiolan-3-yl)imidazo[4,5-b]pyridin-3-yl]propan-1-ol.
What is the SMILES notation for 3-[2-(thiolan-3-yl)imidazo[4,5-b]pyridin-3-yl]propan-1-ol?
The canonical SMILES for 3-[2-(thiolan-3-yl)imidazo[4,5-b]pyridin-3-yl]propan-1-ol is OCCCn1c(C2CCSC2)nc2cccnc21.
What is the InChIKey of 3-[2-(thiolan-3-yl)imidazo[4,5-b]pyridin-3-yl]propan-1-ol?
The InChIKey is JLDSDFUHRJKKDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c17-7-2-6-16-12(10-4-8-18-9-10)15-11-3-1-5-14-13(11)16/h1,3,5,10,17H,2,4,6-9H2.
What are the key properties of 3-[2-(thiolan-3-yl)imidazo[4,5-b]pyridin-3-yl]propan-1-ol?
3-[2-(thiolan-3-yl)imidazo[4,5-b]pyridin-3-yl]propan-1-ol has a molecular weight of 263.37 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(thiolan-3-yl)imidazo[4,5-b]pyridin-3-yl]propan-1-ol is sourced from PubChem (CID 117160041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).