3-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]benzonitrile

C14H12N4S — CID 43762471

IUPAC3-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]benzonitrile
SMILESCc1nc2sccn2c1CNc1cccc(C#N)c1
InChIInChI=1S/C14H12N4S/c1-10-13(18-5-6-19-14(18)17-10)9-16-12-4-2-3-11(7-12)8-15/h2-7,16H,9H2,1H3
InChIKeyURUGZLZVHNCPQH-UHFFFAOYSA-N
MW268.35 g/mol
LogP3.19
Rot. Bonds3

About 3-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]benzonitrile

3-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]benzonitrile (PubChem CID 43762471) has the molecular formula C14H12N4S and a molecular weight of 268.35 g/mol. Its IUPAC name is 3-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]benzonitrile.

Molecular Properties

Compound Name3-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]benzonitrile
PubChem CID43762471
Molecular FormulaC14H12N4S
Molecular Weight268.35 g/mol
Exact Mass268.08
IUPAC Name3-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]benzonitrile
SMILESCc1nc2sccn2c1CNc1cccc(C#N)c1
InChIInChI=1S/C14H12N4S/c1-10-13(18-5-6-19-14(18)17-10)9-16-12-4-2-3-11(7-12)8-15/h2-7,16H,9H2,1H3
InChIKeyURUGZLZVHNCPQH-UHFFFAOYSA-N
XLogP3.19
TPSA53.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]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

3-iodo-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline
CID 43773324
N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]naphthalen-2-amine
CID 43780278
3-ethynyl-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline
CID 43755492
4-bromo-3,5-dimethyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline
CID 107572015
2-methyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1,3-benzothiazol-6-amine
CID 43780738
4-butyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline
CID 43769718
4-ethoxy-3-fluoro-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline
CID 115743258
3-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]propanenitrile
CID 43771524
2-methoxy-4-methyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline
CID 60931230
4-bromo-2-chloro-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline
CID 43774905
4-chloro-2-iodo-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline
CID 107632054
7-[(3-ethynylanilino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 47151104

Frequently Asked Questions

What is the IUPAC name of 3-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]benzonitrile?
The IUPAC name of 3-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]benzonitrile (CID 43762471) is 3-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]benzonitrile.
What is the SMILES notation for 3-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]benzonitrile?
The canonical SMILES for 3-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]benzonitrile is Cc1nc2sccn2c1CNc1cccc(C#N)c1.
What is the InChIKey of 3-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]benzonitrile?
The InChIKey is URUGZLZVHNCPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4S/c1-10-13(18-5-6-19-14(18)17-10)9-16-12-4-2-3-11(7-12)8-15/h2-7,16H,9H2,1H3.
What are the key properties of 3-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]benzonitrile?
3-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]benzonitrile has a molecular weight of 268.35 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]benzonitrile is sourced from PubChem (CID 43762471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).