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

C14H19N3OS — CID 117161041

IUPAC3-[2-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridin-3-yl]propan-1-ol
SMILESOCCCn1c(CC2CCSC2)nc2cccnc21
InChIInChI=1S/C14H19N3OS/c18-7-2-6-17-13(9-11-4-8-19-10-11)16-12-3-1-5-15-14(12)17/h1,3,5,11,18H,2,4,6-10H2
InChIKeyWULBXLZKUNUJBT-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.11
Rot. Bonds5

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

3-[2-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridin-3-yl]propan-1-ol (PubChem CID 117161041) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 3-[2-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridin-3-yl]propan-1-ol.

Molecular Properties

Compound Name3-[2-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridin-3-yl]propan-1-ol
PubChem CID117161041
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name3-[2-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridin-3-yl]propan-1-ol
SMILESOCCCn1c(CC2CCSC2)nc2cccnc21
InChIInChI=1S/C14H19N3OS/c18-7-2-6-17-13(9-11-4-8-19-10-11)16-12-3-1-5-15-14(12)17/h1,3,5,11,18H,2,4,6-10H2
InChIKeyWULBXLZKUNUJBT-UHFFFAOYSA-N
XLogP2.11
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-2-[2-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridin-3-yl]ethanamine
CID 117161453
3-[2-(oxan-4-ylmethyl)imidazo[4,5-b]pyridin-3-yl]propan-1-ol
CID 117161472
3-[2-(thiolan-3-yl)imidazo[4,5-b]pyridin-3-yl]propan-1-ol
CID 117160041
3-(3-methoxypropyl)-2-(thian-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117163856
2-[3-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridin-2-yl]ethanol
CID 117159822
3-[2-[(1-methylpyrrolidin-2-yl)methyl]imidazo[4,5-b]pyridin-3-yl]propan-1-ol
CID 117163152
2-[2-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridin-3-yl]phenol
CID 117161394
2-[(1-methylpyrrolidin-2-yl)methyl]-3-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117163233
2-(pyrrolidin-3-ylmethyl)-3-(thian-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117161141
2-(piperidin-2-ylmethyl)-3-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117163643
3-cyclopropyl-2-(thian-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117164087
2-[2-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridin-3-yl]ethanol
CID 117163159

Frequently Asked Questions

What is the IUPAC name of 3-[2-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridin-3-yl]propan-1-ol?
The IUPAC name of 3-[2-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridin-3-yl]propan-1-ol (CID 117161041) is 3-[2-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridin-3-yl]propan-1-ol.
What is the SMILES notation for 3-[2-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridin-3-yl]propan-1-ol?
The canonical SMILES for 3-[2-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridin-3-yl]propan-1-ol is OCCCn1c(CC2CCSC2)nc2cccnc21.
What is the InChIKey of 3-[2-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridin-3-yl]propan-1-ol?
The InChIKey is WULBXLZKUNUJBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c18-7-2-6-17-13(9-11-4-8-19-10-11)16-12-3-1-5-15-14(12)17/h1,3,5,11,18H,2,4,6-10H2.
What are the key properties of 3-[2-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridin-3-yl]propan-1-ol?
3-[2-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridin-3-yl]propan-1-ol has a molecular weight of 277.39 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridin-3-yl]propan-1-ol is sourced from PubChem (CID 117161041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).