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

C14H19N3S — CID 117165693

IUPAC2-propyl-3-(thian-3-yl)imidazo[4,5-b]pyridine
SMILESCCCc1nc2cccnc2n1C1CCCSC1
InChIInChI=1S/C14H19N3S/c1-2-5-13-16-12-7-3-8-15-14(12)17(13)11-6-4-9-18-10-11/h3,7-8,11H,2,4-6,9-10H2,1H3
InChIKeyGMGPJWQUCWZYIU-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.45
Rot. Bonds3

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

2-propyl-3-(thian-3-yl)imidazo[4,5-b]pyridine (PubChem CID 117165693) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is 2-propyl-3-(thian-3-yl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-propyl-3-(thian-3-yl)imidazo[4,5-b]pyridine
PubChem CID117165693
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC Name2-propyl-3-(thian-3-yl)imidazo[4,5-b]pyridine
SMILESCCCc1nc2cccnc2n1C1CCCSC1
InChIInChI=1S/C14H19N3S/c1-2-5-13-16-12-7-3-8-15-14(12)17(13)11-6-4-9-18-10-11/h3,7-8,11H,2,4-6,9-10H2,1H3
InChIKeyGMGPJWQUCWZYIU-UHFFFAOYSA-N
XLogP3.45
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

2-propyl-3-[1-(thiolan-3-yl)piperidin-4-yl]imidazo[4,5-b]pyridine
CID 118758723
3-cyclopentyl-2-(thian-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117164099
3-cyclohexyl-2-(thian-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117164104
3-cyclopropyl-2-(thian-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117164087
2-(2,2-dimethylpropyl)-3-(thiolan-3-yl)imidazo[4,5-b]pyridine
CID 117165594
2-(pyrrolidin-2-ylmethyl)-3-(thiolan-3-yl)imidazo[4,5-b]pyridine
CID 117163186
3-(oxolan-3-yl)-2-(thian-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117163882
3-(1-methylpiperidin-2-yl)-2-propylimidazo[4,5-b]pyridine
CID 117165753
2-(3-cycloheptylimidazo[4,5-b]pyridin-2-yl)ethanamine
CID 82483690
2-piperidin-3-yl-3-(thian-3-yl)imidazo[4,5-b]pyridine
CID 117161851
3-(oxan-2-yl)-2-(thian-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117163961
(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)methanamine
CID 82474489

Frequently Asked Questions

What is the IUPAC name of 2-propyl-3-(thian-3-yl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-propyl-3-(thian-3-yl)imidazo[4,5-b]pyridine (CID 117165693) is 2-propyl-3-(thian-3-yl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-propyl-3-(thian-3-yl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-propyl-3-(thian-3-yl)imidazo[4,5-b]pyridine is CCCc1nc2cccnc2n1C1CCCSC1.
What is the InChIKey of 2-propyl-3-(thian-3-yl)imidazo[4,5-b]pyridine?
The InChIKey is GMGPJWQUCWZYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S/c1-2-5-13-16-12-7-3-8-15-14(12)17(13)11-6-4-9-18-10-11/h3,7-8,11H,2,4-6,9-10H2,1H3.
What are the key properties of 2-propyl-3-(thian-3-yl)imidazo[4,5-b]pyridine?
2-propyl-3-(thian-3-yl)imidazo[4,5-b]pyridine has a molecular weight of 261.39 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-3-(thian-3-yl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 117165693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).