2-(3-methoxyanilino)-2-(1,3-thiazol-4-yl)acetonitrile

C12H11N3OS — CID 113472182

IUPAC2-(3-methoxyanilino)-2-(1,3-thiazol-4-yl)acetonitrile
SMILESCOc1cccc(NC(C#N)c2cscn2)c1
InChIInChI=1S/C12H11N3OS/c1-16-10-4-2-3-9(5-10)15-11(6-13)12-7-17-8-14-12/h2-5,7-8,11,15H,1H3
InChIKeyRGVHPJPKSBGCLC-UHFFFAOYSA-N
MW245.31 g/mol
LogP2.83
Rot. Bonds4

About 2-(3-methoxyanilino)-2-(1,3-thiazol-4-yl)acetonitrile

2-(3-methoxyanilino)-2-(1,3-thiazol-4-yl)acetonitrile (PubChem CID 113472182) has the molecular formula C12H11N3OS and a molecular weight of 245.31 g/mol. Its IUPAC name is 2-(3-methoxyanilino)-2-(1,3-thiazol-4-yl)acetonitrile.

Molecular Properties

Compound Name2-(3-methoxyanilino)-2-(1,3-thiazol-4-yl)acetonitrile
PubChem CID113472182
Molecular FormulaC12H11N3OS
Molecular Weight245.31 g/mol
Exact Mass245.06
IUPAC Name2-(3-methoxyanilino)-2-(1,3-thiazol-4-yl)acetonitrile
SMILESCOc1cccc(NC(C#N)c2cscn2)c1
InChIInChI=1S/C12H11N3OS/c1-16-10-4-2-3-9(5-10)15-11(6-13)12-7-17-8-14-12/h2-5,7-8,11,15H,1H3
InChIKeyRGVHPJPKSBGCLC-UHFFFAOYSA-N
XLogP2.83
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.31
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(3-methoxyanilino)-2-(1,3-thiazol-4-yl)acetonitrile 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-(3-methoxyanilino)-2-(3-methoxyphenyl)acetonitrile
CID 60990435
2-(3-methoxyanilino)-2-(3,4,5-trifluorophenyl)acetonitrile
CID 63075570
2-(3-chloroanilino)-2-(3-methoxyphenyl)acetonitrile
CID 54887016
2-(3-bromo-4-methoxyphenyl)-2-(3-methoxyanilino)acetonitrile
CID 61037824
3-ethyl-2-(3-methoxyanilino)pentanenitrile
CID 61318903
4-methoxy-N-[1-(1,3-thiazol-4-yl)ethyl]pyridin-2-amine
CID 115922887
2-(3-methoxyanilino)-4-methylpentanenitrile
CID 60990472
3-methoxy-N-(1-pyridin-2-ylethyl)aniline
CID 43196359
2-(3,5-dimethoxyphenyl)-2-(3-fluoroanilino)acetonitrile
CID 60990264
N-[(2,5-dimethoxyphenyl)-(1,3-thiazol-4-yl)methyl]ethanamine
CID 78923564
(2S)-2-anilino-2-(4-methoxyphenyl)acetonitrile
CID 899635
3-(3-methoxyanilino)-3-phenylpropanenitrile
CID 62779366

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyanilino)-2-(1,3-thiazol-4-yl)acetonitrile?
The IUPAC name of 2-(3-methoxyanilino)-2-(1,3-thiazol-4-yl)acetonitrile (CID 113472182) is 2-(3-methoxyanilino)-2-(1,3-thiazol-4-yl)acetonitrile.
What is the SMILES notation for 2-(3-methoxyanilino)-2-(1,3-thiazol-4-yl)acetonitrile?
The canonical SMILES for 2-(3-methoxyanilino)-2-(1,3-thiazol-4-yl)acetonitrile is COc1cccc(NC(C#N)c2cscn2)c1.
What is the InChIKey of 2-(3-methoxyanilino)-2-(1,3-thiazol-4-yl)acetonitrile?
The InChIKey is RGVHPJPKSBGCLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3OS/c1-16-10-4-2-3-9(5-10)15-11(6-13)12-7-17-8-14-12/h2-5,7-8,11,15H,1H3.
What are the key properties of 2-(3-methoxyanilino)-2-(1,3-thiazol-4-yl)acetonitrile?
2-(3-methoxyanilino)-2-(1,3-thiazol-4-yl)acetonitrile has a molecular weight of 245.31 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyanilino)-2-(1,3-thiazol-4-yl)acetonitrile is sourced from PubChem (CID 113472182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).