4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)benzonitrile

C12H9N3S — CID 2815205

IUPAC4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)benzonitrile
SMILESN#Cc1ccc(-c2cn3c(n2)SCC3)cc1
InChIInChI=1S/C12H9N3S/c13-7-9-1-3-10(4-2-9)11-8-15-5-6-16-12(15)14-11/h1-4,8H,5-6H2
InChIKeyUZJXWBBJFNWEDJ-UHFFFAOYSA-N
MW227.29 g/mol
LogP2.53
Rot. Bonds1

About 4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)benzonitrile

4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)benzonitrile (PubChem CID 2815205) has the molecular formula C12H9N3S and a molecular weight of 227.29 g/mol. Its IUPAC name is 4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)benzonitrile.

Molecular Properties

Compound Name4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)benzonitrile
PubChem CID2815205
Molecular FormulaC12H9N3S
Molecular Weight227.29 g/mol
Exact Mass227.05
IUPAC Name4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)benzonitrile
SMILESN#Cc1ccc(-c2cn3c(n2)SCC3)cc1
InChIInChI=1S/C12H9N3S/c13-7-9-1-3-10(4-2-9)11-8-15-5-6-16-12(15)14-11/h1-4,8H,5-6H2
InChIKeyUZJXWBBJFNWEDJ-UHFFFAOYSA-N
XLogP2.53
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)benzonitrile?
The IUPAC name of 4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)benzonitrile (CID 2815205) is 4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)benzonitrile.
What is the SMILES notation for 4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)benzonitrile?
The canonical SMILES for 4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)benzonitrile is N#Cc1ccc(-c2cn3c(n2)SCC3)cc1.
What is the InChIKey of 4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)benzonitrile?
The InChIKey is UZJXWBBJFNWEDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3S/c13-7-9-1-3-10(4-2-9)11-8-15-5-6-16-12(15)14-11/h1-4,8H,5-6H2.
What are the key properties of 4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)benzonitrile?
4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)benzonitrile has a molecular weight of 227.29 g/mol, XLogP of 2.53, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)benzonitrile is sourced from PubChem (CID 2815205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).