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

C13H17N3S — CID 117162552

IUPAC3-propyl-2-(thiolan-2-yl)imidazo[4,5-b]pyridine
SMILESCCCn1c(C2CCCS2)nc2cccnc21
InChIInChI=1S/C13H17N3S/c1-2-8-16-12-10(5-3-7-14-12)15-13(16)11-6-4-9-17-11/h3,5,7,11H,2,4,6,8-9H2,1H3
InChIKeyJLIPPXDQPROZQP-UHFFFAOYSA-N
MW247.37 g/mol
LogP3.41
Rot. Bonds3

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

3-propyl-2-(thiolan-2-yl)imidazo[4,5-b]pyridine (PubChem CID 117162552) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is 3-propyl-2-(thiolan-2-yl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-propyl-2-(thiolan-2-yl)imidazo[4,5-b]pyridine
PubChem CID117162552
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC Name3-propyl-2-(thiolan-2-yl)imidazo[4,5-b]pyridine
SMILESCCCn1c(C2CCCS2)nc2cccnc21
InChIInChI=1S/C13H17N3S/c1-2-8-16-12-10(5-3-7-14-12)15-13(16)11-6-4-9-17-11/h3,5,7,11H,2,4,6,8-9H2,1H3
InChIKeyJLIPPXDQPROZQP-UHFFFAOYSA-N
XLogP3.41
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(thiolan-2-yl)imidazo[4,5-b]pyridin-3-yl]ethanol
CID 117162166
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-[(1-methylpyrrolidin-2-yl)methyl]-2-(thian-2-yl)imidazo[4,5-b]pyridine
CID 117162907
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-propyl-2-(thiolan-3-yl)imidazo[4,5-b]pyridine
CID 117160449
3-propan-2-yl-2-(thiolan-2-yl)imidazo[4,5-b]pyridine
CID 117162583
3-(oxan-3-ylmethyl)-2-(thiolan-2-yl)imidazo[4,5-b]pyridine
CID 117162430
3-(1-ethylpiperidin-4-yl)-2-(thiolan-2-yl)imidazo[4,5-b]pyridine
CID 117162220
3-(pyrrolidin-3-ylmethyl)-2-(thian-2-yl)imidazo[4,5-b]pyridine
CID 117162806
3-(oxan-2-yl)-2-(thiolan-2-yl)imidazo[4,5-b]pyridine
CID 117162355

Frequently Asked Questions

What is the IUPAC name of 3-propyl-2-(thiolan-2-yl)imidazo[4,5-b]pyridine?
The IUPAC name of 3-propyl-2-(thiolan-2-yl)imidazo[4,5-b]pyridine (CID 117162552) is 3-propyl-2-(thiolan-2-yl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-propyl-2-(thiolan-2-yl)imidazo[4,5-b]pyridine?
The canonical SMILES for 3-propyl-2-(thiolan-2-yl)imidazo[4,5-b]pyridine is CCCn1c(C2CCCS2)nc2cccnc21.
What is the InChIKey of 3-propyl-2-(thiolan-2-yl)imidazo[4,5-b]pyridine?
The InChIKey is JLIPPXDQPROZQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-2-8-16-12-10(5-3-7-14-12)15-13(16)11-6-4-9-17-11/h3,5,7,11H,2,4,6,8-9H2,1H3.
What are the key properties of 3-propyl-2-(thiolan-2-yl)imidazo[4,5-b]pyridine?
3-propyl-2-(thiolan-2-yl)imidazo[4,5-b]pyridine has a molecular weight of 247.37 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-2-(thiolan-2-yl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 117162552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).