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

C12H10N2OS — CID 2806222

IUPAC4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzonitrile
SMILESCc1nc(COc2ccc(C#N)cc2)cs1
InChIInChI=1S/C12H10N2OS/c1-9-14-11(8-16-9)7-15-12-4-2-10(6-13)3-5-12/h2-5,8H,7H2,1H3
InChIKeyTZZWRROOAZYIBF-UHFFFAOYSA-N
MW230.29 g/mol
LogP2.90
Rot. Bonds3

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

4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzonitrile (PubChem CID 2806222) has the molecular formula C12H10N2OS and a molecular weight of 230.29 g/mol. Its IUPAC name is 4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzonitrile.

Molecular Properties

Compound Name4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzonitrile
PubChem CID2806222
Molecular FormulaC12H10N2OS
Molecular Weight230.29 g/mol
Exact Mass230.05
IUPAC Name4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzonitrile
SMILESCc1nc(COc2ccc(C#N)cc2)cs1
InChIInChI=1S/C12H10N2OS/c1-9-14-11(8-16-9)7-15-12-4-2-10(6-13)3-5-12/h2-5,8H,7H2,1H3
InChIKeyTZZWRROOAZYIBF-UHFFFAOYSA-N
XLogP2.90
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzonitrile 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 4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzonitrile?
The IUPAC name of 4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzonitrile (CID 2806222) is 4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzonitrile.
What is the SMILES notation for 4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzonitrile?
The canonical SMILES for 4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzonitrile is Cc1nc(COc2ccc(C#N)cc2)cs1.
What is the InChIKey of 4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzonitrile?
The InChIKey is TZZWRROOAZYIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2OS/c1-9-14-11(8-16-9)7-15-12-4-2-10(6-13)3-5-12/h2-5,8H,7H2,1H3.
What are the key properties of 4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzonitrile?
4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzonitrile has a molecular weight of 230.29 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzonitrile is sourced from PubChem (CID 2806222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).