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

C12H10N2OS — CID 126954643

IUPAC2-[(4-methyl-1,3-thiazol-2-yl)oxymethyl]benzonitrile
SMILESCc1csc(OCc2ccccc2C#N)n1
InChIInChI=1S/C12H10N2OS/c1-9-8-16-12(14-9)15-7-11-5-3-2-4-10(11)6-13/h2-5,8H,7H2,1H3
InChIKeyMLTRRMHQYUUMQT-UHFFFAOYSA-N
MW230.29 g/mol
LogP2.90
Rot. Bonds3

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

2-[(4-methyl-1,3-thiazol-2-yl)oxymethyl]benzonitrile (PubChem CID 126954643) has the molecular formula C12H10N2OS and a molecular weight of 230.29 g/mol. Its IUPAC name is 2-[(4-methyl-1,3-thiazol-2-yl)oxymethyl]benzonitrile.

Molecular Properties

Compound Name2-[(4-methyl-1,3-thiazol-2-yl)oxymethyl]benzonitrile
PubChem CID126954643
Molecular FormulaC12H10N2OS
Molecular Weight230.29 g/mol
Exact Mass230.05
IUPAC Name2-[(4-methyl-1,3-thiazol-2-yl)oxymethyl]benzonitrile
SMILESCc1csc(OCc2ccccc2C#N)n1
InChIInChI=1S/C12H10N2OS/c1-9-8-16-12(14-9)15-7-11-5-3-2-4-10(11)6-13/h2-5,8H,7H2,1H3
InChIKeyMLTRRMHQYUUMQT-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 2-[(4-methyl-1,3-thiazol-2-yl)oxymethyl]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxymethyl]benzonitrile
CID 79158871
2-[(2-fluorophenyl)methoxy]-6-methylpyridine-3-carbonitrile
CID 63937147
2-[(4-bromo-2,6-dimethylphenoxy)methyl]benzonitrile
CID 22688264
2-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethoxy]benzonitrile
CID 43290043
2-[(2-propan-2-ylphenoxy)methyl]benzonitrile
CID 22688243
2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]benzonitrile
CID 28602391
2-[(1-methylpyrazol-4-yl)oxymethyl]benzonitrile
CID 115753079
2-[(2-methylpropan-2-yl)oxymethyl]benzonitrile
CID 29001545
2-[(2,6-dichlorophenoxy)methyl]benzonitrile
CID 22688283
[2-[(2-cyanophenyl)methoxy]phenyl]boronic acid
CID 43145286
2-[(4-bromo-2,3,6-trimethylphenoxy)methyl]benzonitrile
CID 22688304
2-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]benzonitrile
CID 47984172

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-1,3-thiazol-2-yl)oxymethyl]benzonitrile?
The IUPAC name of 2-[(4-methyl-1,3-thiazol-2-yl)oxymethyl]benzonitrile (CID 126954643) is 2-[(4-methyl-1,3-thiazol-2-yl)oxymethyl]benzonitrile.
What is the SMILES notation for 2-[(4-methyl-1,3-thiazol-2-yl)oxymethyl]benzonitrile?
The canonical SMILES for 2-[(4-methyl-1,3-thiazol-2-yl)oxymethyl]benzonitrile is Cc1csc(OCc2ccccc2C#N)n1.
What is the InChIKey of 2-[(4-methyl-1,3-thiazol-2-yl)oxymethyl]benzonitrile?
The InChIKey is MLTRRMHQYUUMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2OS/c1-9-8-16-12(14-9)15-7-11-5-3-2-4-10(11)6-13/h2-5,8H,7H2,1H3.
What are the key properties of 2-[(4-methyl-1,3-thiazol-2-yl)oxymethyl]benzonitrile?
2-[(4-methyl-1,3-thiazol-2-yl)oxymethyl]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 2-[(4-methyl-1,3-thiazol-2-yl)oxymethyl]benzonitrile is sourced from PubChem (CID 126954643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).