2-[4-(4-methoxy-2,3-dimethylphenyl)-1,3-thiazol-2-yl]acetonitrile

C14H14N2OS — CID 82300637

IUPAC2-[4-(4-methoxy-2,3-dimethylphenyl)-1,3-thiazol-2-yl]acetonitrile
SMILESCOc1ccc(-c2csc(CC#N)n2)c(C)c1C
InChIInChI=1S/C14H14N2OS/c1-9-10(2)13(17-3)5-4-11(9)12-8-18-14(16-12)6-7-15/h4-5,8H,6H2,1-3H3
InChIKeyDICHVJIWZJIDLT-UHFFFAOYSA-N
MW258.35 g/mol
LogP3.50
Rot. Bonds3

About 2-[4-(4-methoxy-2,3-dimethylphenyl)-1,3-thiazol-2-yl]acetonitrile

2-[4-(4-methoxy-2,3-dimethylphenyl)-1,3-thiazol-2-yl]acetonitrile (PubChem CID 82300637) has the molecular formula C14H14N2OS and a molecular weight of 258.35 g/mol. Its IUPAC name is 2-[4-(4-methoxy-2,3-dimethylphenyl)-1,3-thiazol-2-yl]acetonitrile.

Molecular Properties

Compound Name2-[4-(4-methoxy-2,3-dimethylphenyl)-1,3-thiazol-2-yl]acetonitrile
PubChem CID82300637
Molecular FormulaC14H14N2OS
Molecular Weight258.35 g/mol
Exact Mass258.08
IUPAC Name2-[4-(4-methoxy-2,3-dimethylphenyl)-1,3-thiazol-2-yl]acetonitrile
SMILESCOc1ccc(-c2csc(CC#N)n2)c(C)c1C
InChIInChI=1S/C14H14N2OS/c1-9-10(2)13(17-3)5-4-11(9)12-8-18-14(16-12)6-7-15/h4-5,8H,6H2,1-3H3
InChIKeyDICHVJIWZJIDLT-UHFFFAOYSA-N
XLogP3.50
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-4-(4-methoxy-2,3-dimethylphenyl)-1,3-thiazole
CID 116970066
[4-(4-methoxy-2,3-dimethylphenyl)-1,3-thiazol-2-yl]methylhydrazine
CID 116970211
2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)acetonitrile
CID 24708724
2-[4-(4-ethoxy-3-methylphenyl)-1,3-thiazol-2-yl]acetonitrile
CID 82300635
3-[4-(2,3,4-trimethylphenyl)-1,3-thiazol-2-yl]propanenitrile
CID 116866839
1-[4-(4-methoxy-2,3-dimethylphenyl)-1,3-thiazol-2-yl]ethanol
CID 116867574
2-bromo-4-(2,4-dimethoxy-3-methylphenyl)-1,3-thiazole
CID 116968047
3-[4-(5-bromo-2-methoxyphenyl)-1,3-thiazol-2-yl]propanenitrile
CID 116866801
1-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine
CID 4212091
2-[4-(5-methyl-1-phenylpyrazol-4-yl)-1,3-thiazol-2-yl]acetonitrile
CID 139235210
2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetonitrile
CID 24703190
2-[4-(5-bromo-2-fluorophenyl)-1,3-thiazol-2-yl]acetonitrile
CID 82967172

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxy-2,3-dimethylphenyl)-1,3-thiazol-2-yl]acetonitrile?
The IUPAC name of 2-[4-(4-methoxy-2,3-dimethylphenyl)-1,3-thiazol-2-yl]acetonitrile (CID 82300637) is 2-[4-(4-methoxy-2,3-dimethylphenyl)-1,3-thiazol-2-yl]acetonitrile.
What is the SMILES notation for 2-[4-(4-methoxy-2,3-dimethylphenyl)-1,3-thiazol-2-yl]acetonitrile?
The canonical SMILES for 2-[4-(4-methoxy-2,3-dimethylphenyl)-1,3-thiazol-2-yl]acetonitrile is COc1ccc(-c2csc(CC#N)n2)c(C)c1C.
What is the InChIKey of 2-[4-(4-methoxy-2,3-dimethylphenyl)-1,3-thiazol-2-yl]acetonitrile?
The InChIKey is DICHVJIWZJIDLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2OS/c1-9-10(2)13(17-3)5-4-11(9)12-8-18-14(16-12)6-7-15/h4-5,8H,6H2,1-3H3.
What are the key properties of 2-[4-(4-methoxy-2,3-dimethylphenyl)-1,3-thiazol-2-yl]acetonitrile?
2-[4-(4-methoxy-2,3-dimethylphenyl)-1,3-thiazol-2-yl]acetonitrile has a molecular weight of 258.35 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxy-2,3-dimethylphenyl)-1,3-thiazol-2-yl]acetonitrile is sourced from PubChem (CID 82300637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).