2-(2,3-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)acetonitrile

C9H9N3S — CID 82062312

IUPAC2-(2,3-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)acetonitrile
SMILESCc1sc2ncc(CC#N)n2c1C
InChIInChI=1S/C9H9N3S/c1-6-7(2)13-9-11-5-8(3-4-10)12(6)9/h5H,3H2,1-2H3
InChIKeyLNWSZALGAYXVEZ-UHFFFAOYSA-N
MW191.26 g/mol
LogP2.08
Rot. Bonds1

About 2-(2,3-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)acetonitrile

2-(2,3-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)acetonitrile (PubChem CID 82062312) has the molecular formula C9H9N3S and a molecular weight of 191.26 g/mol. Its IUPAC name is 2-(2,3-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)acetonitrile.

Molecular Properties

Compound Name2-(2,3-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)acetonitrile
PubChem CID82062312
Molecular FormulaC9H9N3S
Molecular Weight191.26 g/mol
Exact Mass191.05
IUPAC Name2-(2,3-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)acetonitrile
SMILESCc1sc2ncc(CC#N)n2c1C
InChIInChI=1S/C9H9N3S/c1-6-7(2)13-9-11-5-8(3-4-10)12(6)9/h5H,3H2,1-2H3
InChIKeyLNWSZALGAYXVEZ-UHFFFAOYSA-N
XLogP2.08
TPSA41.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.26
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)acetonitrile?
The IUPAC name of 2-(2,3-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)acetonitrile (CID 82062312) is 2-(2,3-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)acetonitrile.
What is the SMILES notation for 2-(2,3-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)acetonitrile?
The canonical SMILES for 2-(2,3-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)acetonitrile is Cc1sc2ncc(CC#N)n2c1C.
What is the InChIKey of 2-(2,3-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)acetonitrile?
The InChIKey is LNWSZALGAYXVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3S/c1-6-7(2)13-9-11-5-8(3-4-10)12(6)9/h5H,3H2,1-2H3.
What are the key properties of 2-(2,3-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)acetonitrile?
2-(2,3-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)acetonitrile has a molecular weight of 191.26 g/mol, XLogP of 2.08, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)acetonitrile is sourced from PubChem (CID 82062312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).