4-(2-methyl-1,3-thiazol-4-yl)benzonitrile

C11H8N2S — CID 716353

IUPAC4-(2-methyl-1,3-thiazol-4-yl)benzonitrile
SMILESCc1nc(-c2ccc(C#N)cc2)cs1
InChIInChI=1S/C11H8N2S/c1-8-13-11(7-14-8)10-4-2-9(6-12)3-5-10/h2-5,7H,1H3
InChIKeyFOKBMJMDQCPNJI-UHFFFAOYSA-N
MW200.27 g/mol
LogP2.99
Rot. Bonds1

About 4-(2-methyl-1,3-thiazol-4-yl)benzonitrile

4-(2-methyl-1,3-thiazol-4-yl)benzonitrile (PubChem CID 716353) has the molecular formula C11H8N2S and a molecular weight of 200.27 g/mol. Its IUPAC name is 4-(2-methyl-1,3-thiazol-4-yl)benzonitrile.

Molecular Properties

Compound Name4-(2-methyl-1,3-thiazol-4-yl)benzonitrile
PubChem CID716353
Molecular FormulaC11H8N2S
Molecular Weight200.27 g/mol
Exact Mass200.04
IUPAC Name4-(2-methyl-1,3-thiazol-4-yl)benzonitrile
SMILESCc1nc(-c2ccc(C#N)cc2)cs1
InChIInChI=1S/C11H8N2S/c1-8-13-11(7-14-8)10-4-2-9(6-12)3-5-10/h2-5,7H,1H3
InChIKeyFOKBMJMDQCPNJI-UHFFFAOYSA-N
XLogP2.99
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.27
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-1,3-thiazol-4-yl)benzonitrile?
The IUPAC name of 4-(2-methyl-1,3-thiazol-4-yl)benzonitrile (CID 716353) is 4-(2-methyl-1,3-thiazol-4-yl)benzonitrile.
What is the SMILES notation for 4-(2-methyl-1,3-thiazol-4-yl)benzonitrile?
The canonical SMILES for 4-(2-methyl-1,3-thiazol-4-yl)benzonitrile is Cc1nc(-c2ccc(C#N)cc2)cs1.
What is the InChIKey of 4-(2-methyl-1,3-thiazol-4-yl)benzonitrile?
The InChIKey is FOKBMJMDQCPNJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2S/c1-8-13-11(7-14-8)10-4-2-9(6-12)3-5-10/h2-5,7H,1H3.
What are the key properties of 4-(2-methyl-1,3-thiazol-4-yl)benzonitrile?
4-(2-methyl-1,3-thiazol-4-yl)benzonitrile has a molecular weight of 200.27 g/mol, XLogP of 2.99, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-1,3-thiazol-4-yl)benzonitrile is sourced from PubChem (CID 716353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).