2-bromo-6-[2-(1,3-thiazol-2-yl)ethylamino]benzonitrile

C12H10BrN3S — CID 114881026

IUPAC2-bromo-6-[2-(1,3-thiazol-2-yl)ethylamino]benzonitrile
SMILESN#Cc1c(Br)cccc1NCCc1nccs1
InChIInChI=1S/C12H10BrN3S/c13-10-2-1-3-11(9(10)8-14)15-5-4-12-16-6-7-17-12/h1-3,6-7,15H,4-5H2
InChIKeyMSMZDJXZJUERCW-UHFFFAOYSA-N
MW308.20 g/mol
LogP3.43
Rot. Bonds4

About 2-bromo-6-[2-(1,3-thiazol-2-yl)ethylamino]benzonitrile

2-bromo-6-[2-(1,3-thiazol-2-yl)ethylamino]benzonitrile (PubChem CID 114881026) has the molecular formula C12H10BrN3S and a molecular weight of 308.20 g/mol. Its IUPAC name is 2-bromo-6-[2-(1,3-thiazol-2-yl)ethylamino]benzonitrile.

Molecular Properties

Compound Name2-bromo-6-[2-(1,3-thiazol-2-yl)ethylamino]benzonitrile
PubChem CID114881026
Molecular FormulaC12H10BrN3S
Molecular Weight308.20 g/mol
Exact Mass306.98
IUPAC Name2-bromo-6-[2-(1,3-thiazol-2-yl)ethylamino]benzonitrile
SMILESN#Cc1c(Br)cccc1NCCc1nccs1
InChIInChI=1S/C12H10BrN3S/c13-10-2-1-3-11(9(10)8-14)15-5-4-12-16-6-7-17-12/h1-3,6-7,15H,4-5H2
InChIKeyMSMZDJXZJUERCW-UHFFFAOYSA-N
XLogP3.43
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.20
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-bromo-6-[2-(1,3-thiazol-2-yl)ethylamino]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-Fluoro-6-(1,3-thiazol-2-ylmethylamino)benzonitrile
CID 53546753
2-fluoro-6-[[(2S)-2-(1,3-thiazol-2-yl)propyl]amino]benzonitrile
CID 124680392
2-Fluoro-6-[2-(1,3-thiazol-2-yl)ethylamino]benzonitrile
CID 49432111
4-bromo-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(trifluoromethyl)aniline
CID 54868599
4-bromo-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(trifluoromethyl)aniline
CID 54868704
2-Fluoro-6-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzonitrile
CID 54868791
5-bromo-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-fluoroaniline
CID 54883180
2-[(2-Ethyl-1,3-thiazol-5-yl)methylamino]-6-fluorobenzonitrile
CID 54883229
5-[(2-Ethyl-1,3-thiazol-5-yl)methylamino]-2-fluorobenzonitrile
CID 55057727
4-bromo-N-(1,3-thiazol-5-ylmethyl)-2-(trifluoromethyl)aniline
CID 55109861
N-[2-(1,3-thiazol-2-yl)ethyl]-2-(trifluoromethyl)aniline
CID 55175613
5-Fluoro-2-[2-(1,3-thiazol-2-yl)ethylamino]benzenecarbothioamide
CID 55232902

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-[2-(1,3-thiazol-2-yl)ethylamino]benzonitrile?
The IUPAC name of 2-bromo-6-[2-(1,3-thiazol-2-yl)ethylamino]benzonitrile (CID 114881026) is 2-bromo-6-[2-(1,3-thiazol-2-yl)ethylamino]benzonitrile.
What is the SMILES notation for 2-bromo-6-[2-(1,3-thiazol-2-yl)ethylamino]benzonitrile?
The canonical SMILES for 2-bromo-6-[2-(1,3-thiazol-2-yl)ethylamino]benzonitrile is N#Cc1c(Br)cccc1NCCc1nccs1.
What is the InChIKey of 2-bromo-6-[2-(1,3-thiazol-2-yl)ethylamino]benzonitrile?
The InChIKey is MSMZDJXZJUERCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN3S/c13-10-2-1-3-11(9(10)8-14)15-5-4-12-16-6-7-17-12/h1-3,6-7,15H,4-5H2.
What are the key properties of 2-bromo-6-[2-(1,3-thiazol-2-yl)ethylamino]benzonitrile?
2-bromo-6-[2-(1,3-thiazol-2-yl)ethylamino]benzonitrile has a molecular weight of 308.20 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-[2-(1,3-thiazol-2-yl)ethylamino]benzonitrile is sourced from PubChem (CID 114881026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).