2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]benzonitrile

C16H12N4S — CID 43234404

IUPAC2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]benzonitrile
SMILESN#Cc1ccccc1NCc1csc(-c2ccccn2)n1
InChIInChI=1S/C16H12N4S/c17-9-12-5-1-2-6-14(12)19-10-13-11-21-16(20-13)15-7-3-4-8-18-15/h1-8,11,19H,10H2
InChIKeyAFBNQQWSIQDQCD-UHFFFAOYSA-N
MW292.37 g/mol
LogP3.69
Rot. Bonds4

About 2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]benzonitrile

2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]benzonitrile (PubChem CID 43234404) has the molecular formula C16H12N4S and a molecular weight of 292.37 g/mol. Its IUPAC name is 2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]benzonitrile.

Molecular Properties

Compound Name2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]benzonitrile
PubChem CID43234404
Molecular FormulaC16H12N4S
Molecular Weight292.37 g/mol
Exact Mass292.08
IUPAC Name2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]benzonitrile
SMILESN#Cc1ccccc1NCc1csc(-c2ccccn2)n1
InChIInChI=1S/C16H12N4S/c17-9-12-5-1-2-6-14(12)19-10-13-11-21-16(20-13)15-7-3-4-8-18-15/h1-8,11,19H,10H2
InChIKeyAFBNQQWSIQDQCD-UHFFFAOYSA-N
XLogP3.69
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.37
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(2-pyridin-2-yl-1,3-thiazol-4-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

4-fluoro-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]aniline
CID 43234338
N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pyrimidin-5-amine
CID 107588206
4-fluoro-2-iodo-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]aniline
CID 79759320
3,4-dichloro-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]aniline
CID 43234391
N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 47037231
N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]cyclopropanamine
CID 43234356
N-[(2-methylpropan-2-yl)oxy]-1-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanamine
CID 82720811
3-methyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]aniline
CID 43234335
N'-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine
CID 55025320
6-phenyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pyridazin-3-amine
CID 108779877
N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 75505627
2-bromo-6-fluoro-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]aniline
CID 107598427

Frequently Asked Questions

What is the IUPAC name of 2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]benzonitrile?
The IUPAC name of 2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]benzonitrile (CID 43234404) is 2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]benzonitrile.
What is the SMILES notation for 2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]benzonitrile?
The canonical SMILES for 2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]benzonitrile is N#Cc1ccccc1NCc1csc(-c2ccccn2)n1.
What is the InChIKey of 2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]benzonitrile?
The InChIKey is AFBNQQWSIQDQCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4S/c17-9-12-5-1-2-6-14(12)19-10-13-11-21-16(20-13)15-7-3-4-8-18-15/h1-8,11,19H,10H2.
What are the key properties of 2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]benzonitrile?
2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]benzonitrile has a molecular weight of 292.37 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]benzonitrile is sourced from PubChem (CID 43234404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).