3-(thiolan-2-ylmethyl)-2-thiophen-2-ylimidazo[4,5-b]pyridine

C15H15N3S2 — CID 117164349

IUPAC3-(thiolan-2-ylmethyl)-2-thiophen-2-ylimidazo[4,5-b]pyridine
SMILESc1csc(-c2nc3cccnc3n2CC2CCCS2)c1
InChIInChI=1S/C15H15N3S2/c1-5-12-14(16-7-1)18(10-11-4-2-8-19-11)15(17-12)13-6-3-9-20-13/h1,3,5-7,9,11H,2,4,8,10H2
InChIKeyBIXMLENZOLVVDI-UHFFFAOYSA-N
MW301.44 g/mol
LogP4.06
Rot. Bonds3

About 3-(thiolan-2-ylmethyl)-2-thiophen-2-ylimidazo[4,5-b]pyridine

3-(thiolan-2-ylmethyl)-2-thiophen-2-ylimidazo[4,5-b]pyridine (PubChem CID 117164349) has the molecular formula C15H15N3S2 and a molecular weight of 301.44 g/mol. Its IUPAC name is 3-(thiolan-2-ylmethyl)-2-thiophen-2-ylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-(thiolan-2-ylmethyl)-2-thiophen-2-ylimidazo[4,5-b]pyridine
PubChem CID117164349
Molecular FormulaC15H15N3S2
Molecular Weight301.44 g/mol
Exact Mass301.07
IUPAC Name3-(thiolan-2-ylmethyl)-2-thiophen-2-ylimidazo[4,5-b]pyridine
SMILESc1csc(-c2nc3cccnc3n2CC2CCCS2)c1
InChIInChI=1S/C15H15N3S2/c1-5-12-14(16-7-1)18(10-11-4-2-8-19-11)15(17-12)13-6-3-9-20-13/h1,3,5-7,9,11H,2,4,8,10H2
InChIKeyBIXMLENZOLVVDI-UHFFFAOYSA-N
XLogP4.06
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.44
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(thian-3-yl)-3-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117161914
2-(oxan-2-ylmethyl)-3-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117163696
2-(1-ethylpyrrolidin-2-yl)-3-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117162401
2-(oxan-3-ylmethyl)-3-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117163970
N,N-dimethyl-2-[2-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridin-3-yl]ethanamine
CID 117163560
3-[(3-fluorophenyl)methyl]-2-thiophen-2-ylimidazo[4,5-b]pyridine
CID 117164454
3-(oxolan-2-yl)-2-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117163279
2-[2-(thiolan-2-yl)imidazo[4,5-b]pyridin-3-yl]ethanol
CID 117162166
3-pyridin-4-yl-2-(thian-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117163850
3-(1-methylpyrrolidin-3-yl)-2-thiophen-2-ylimidazo[4,5-b]pyridine
CID 117164168
4-(2-thiophen-2-ylimidazo[4,5-b]pyridin-3-yl)phenol
CID 117164600
2-(5-methylthiophen-2-yl)-3-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117164249

Frequently Asked Questions

What is the IUPAC name of 3-(thiolan-2-ylmethyl)-2-thiophen-2-ylimidazo[4,5-b]pyridine?
The IUPAC name of 3-(thiolan-2-ylmethyl)-2-thiophen-2-ylimidazo[4,5-b]pyridine (CID 117164349) is 3-(thiolan-2-ylmethyl)-2-thiophen-2-ylimidazo[4,5-b]pyridine.
What is the SMILES notation for 3-(thiolan-2-ylmethyl)-2-thiophen-2-ylimidazo[4,5-b]pyridine?
The canonical SMILES for 3-(thiolan-2-ylmethyl)-2-thiophen-2-ylimidazo[4,5-b]pyridine is c1csc(-c2nc3cccnc3n2CC2CCCS2)c1.
What is the InChIKey of 3-(thiolan-2-ylmethyl)-2-thiophen-2-ylimidazo[4,5-b]pyridine?
The InChIKey is BIXMLENZOLVVDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3S2/c1-5-12-14(16-7-1)18(10-11-4-2-8-19-11)15(17-12)13-6-3-9-20-13/h1,3,5-7,9,11H,2,4,8,10H2.
What are the key properties of 3-(thiolan-2-ylmethyl)-2-thiophen-2-ylimidazo[4,5-b]pyridine?
3-(thiolan-2-ylmethyl)-2-thiophen-2-ylimidazo[4,5-b]pyridine has a molecular weight of 301.44 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(thiolan-2-ylmethyl)-2-thiophen-2-ylimidazo[4,5-b]pyridine is sourced from PubChem (CID 117164349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).