2-(3,6-dipyridin-3-ylimidazo[2,1-b][1,3]thiazol-5-yl)acetonitrile

C17H11N5S — CID 93210732

IUPAC2-(3,6-dipyridin-3-ylimidazo[2,1-b][1,3]thiazol-5-yl)acetonitrile
SMILESN#CCc1c(-c2cccnc2)nc2scc(-c3cccnc3)n12
InChIInChI=1S/C17H11N5S/c18-6-5-14-16(13-4-2-8-20-10-13)21-17-22(14)15(11-23-17)12-3-1-7-19-9-12/h1-4,7-11H,5H2
InChIKeyUNHPPHQTCZYZFA-UHFFFAOYSA-N
MW317.38 g/mol
LogP3.59
Rot. Bonds3

About 2-(3,6-dipyridin-3-ylimidazo[2,1-b][1,3]thiazol-5-yl)acetonitrile

2-(3,6-dipyridin-3-ylimidazo[2,1-b][1,3]thiazol-5-yl)acetonitrile (PubChem CID 93210732) has the molecular formula C17H11N5S and a molecular weight of 317.38 g/mol. Its IUPAC name is 2-(3,6-dipyridin-3-ylimidazo[2,1-b][1,3]thiazol-5-yl)acetonitrile.

Molecular Properties

Compound Name2-(3,6-dipyridin-3-ylimidazo[2,1-b][1,3]thiazol-5-yl)acetonitrile
PubChem CID93210732
Molecular FormulaC17H11N5S
Molecular Weight317.38 g/mol
Exact Mass317.07
IUPAC Name2-(3,6-dipyridin-3-ylimidazo[2,1-b][1,3]thiazol-5-yl)acetonitrile
SMILESN#CCc1c(-c2cccnc2)nc2scc(-c3cccnc3)n12
InChIInChI=1S/C17H11N5S/c18-6-5-14-16(13-4-2-8-20-10-13)21-17-22(14)15(11-23-17)12-3-1-7-19-9-12/h1-4,7-11H,5H2
InChIKeyUNHPPHQTCZYZFA-UHFFFAOYSA-N
XLogP3.59
TPSA66.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.38
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(3,6-dipyridin-3-ylimidazo[2,1-b][1,3]thiazol-5-yl)acetonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dipyridin-3-ylimidazo[2,1-b][1,3]thiazol-5-yl)acetonitrile?
The IUPAC name of 2-(3,6-dipyridin-3-ylimidazo[2,1-b][1,3]thiazol-5-yl)acetonitrile (CID 93210732) is 2-(3,6-dipyridin-3-ylimidazo[2,1-b][1,3]thiazol-5-yl)acetonitrile.
What is the SMILES notation for 2-(3,6-dipyridin-3-ylimidazo[2,1-b][1,3]thiazol-5-yl)acetonitrile?
The canonical SMILES for 2-(3,6-dipyridin-3-ylimidazo[2,1-b][1,3]thiazol-5-yl)acetonitrile is N#CCc1c(-c2cccnc2)nc2scc(-c3cccnc3)n12.
What is the InChIKey of 2-(3,6-dipyridin-3-ylimidazo[2,1-b][1,3]thiazol-5-yl)acetonitrile?
The InChIKey is UNHPPHQTCZYZFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N5S/c18-6-5-14-16(13-4-2-8-20-10-13)21-17-22(14)15(11-23-17)12-3-1-7-19-9-12/h1-4,7-11H,5H2.
What are the key properties of 2-(3,6-dipyridin-3-ylimidazo[2,1-b][1,3]thiazol-5-yl)acetonitrile?
2-(3,6-dipyridin-3-ylimidazo[2,1-b][1,3]thiazol-5-yl)acetonitrile has a molecular weight of 317.38 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-dipyridin-3-ylimidazo[2,1-b][1,3]thiazol-5-yl)acetonitrile is sourced from PubChem (CID 93210732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).