4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)benzonitrile

C13H9N3S — CID 15005409

IUPAC4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)benzonitrile
SMILESCc1nc2sccn2c1-c1ccc(C#N)cc1
InChIInChI=1S/C13H9N3S/c1-9-12(16-6-7-17-13(16)15-9)11-4-2-10(8-14)3-5-11/h2-7H,1H3
InChIKeyVGXDULRGWZYYSS-UHFFFAOYSA-N
MW239.30 g/mol
LogP3.24
Rot. Bonds1

About 4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)benzonitrile

4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)benzonitrile (PubChem CID 15005409) has the molecular formula C13H9N3S and a molecular weight of 239.30 g/mol. Its IUPAC name is 4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)benzonitrile.

Molecular Properties

Compound Name4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)benzonitrile
PubChem CID15005409
Molecular FormulaC13H9N3S
Molecular Weight239.30 g/mol
Exact Mass239.05
IUPAC Name4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)benzonitrile
SMILESCc1nc2sccn2c1-c1ccc(C#N)cc1
InChIInChI=1S/C13H9N3S/c1-9-12(16-6-7-17-13(16)15-9)11-4-2-10(8-14)3-5-11/h2-7H,1H3
InChIKeyVGXDULRGWZYYSS-UHFFFAOYSA-N
XLogP3.24
TPSA41.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)benzonitrile?
The IUPAC name of 4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)benzonitrile (CID 15005409) is 4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)benzonitrile.
What is the SMILES notation for 4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)benzonitrile?
The canonical SMILES for 4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)benzonitrile is Cc1nc2sccn2c1-c1ccc(C#N)cc1.
What is the InChIKey of 4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)benzonitrile?
The InChIKey is VGXDULRGWZYYSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3S/c1-9-12(16-6-7-17-13(16)15-9)11-4-2-10(8-14)3-5-11/h2-7H,1H3.
What are the key properties of 4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)benzonitrile?
4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)benzonitrile has a molecular weight of 239.30 g/mol, XLogP of 3.24, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)benzonitrile is sourced from PubChem (CID 15005409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).