4-(2-aminoethyl)-N-(2-bromophenyl)-1,3-thiazol-2-amine

C11H12BrN3S — CID 28711493

IUPAC4-(2-aminoethyl)-N-(2-bromophenyl)-1,3-thiazol-2-amine
SMILESNCCc1csc(Nc2ccccc2Br)n1
InChIInChI=1S/C11H12BrN3S/c12-9-3-1-2-4-10(9)15-11-14-8(5-6-13)7-16-11/h1-4,7H,5-6,13H2,(H,14,15)
InChIKeyGIYRYWQHCGVEIC-UHFFFAOYSA-N
MW298.21 g/mol
LogP3.15
Rot. Bonds4

About 4-(2-aminoethyl)-N-(2-bromophenyl)-1,3-thiazol-2-amine

4-(2-aminoethyl)-N-(2-bromophenyl)-1,3-thiazol-2-amine (PubChem CID 28711493) has the molecular formula C11H12BrN3S and a molecular weight of 298.21 g/mol. Its IUPAC name is 4-(2-aminoethyl)-N-(2-bromophenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2-aminoethyl)-N-(2-bromophenyl)-1,3-thiazol-2-amine
PubChem CID28711493
Molecular FormulaC11H12BrN3S
Molecular Weight298.21 g/mol
Exact Mass296.99
IUPAC Name4-(2-aminoethyl)-N-(2-bromophenyl)-1,3-thiazol-2-amine
SMILESNCCc1csc(Nc2ccccc2Br)n1
InChIInChI=1S/C11H12BrN3S/c12-9-3-1-2-4-10(9)15-11-14-8(5-6-13)7-16-11/h1-4,7H,5-6,13H2,(H,14,15)
InChIKeyGIYRYWQHCGVEIC-UHFFFAOYSA-N
XLogP3.15
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.21
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(2-aminoethyl)-N-(2-bromophenyl)-1,3-thiazol-2-amine 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-(2-aminopropyl)-N-(2-bromophenyl)-1,3-thiazol-2-amine
CID 82020354
4-(2-aminoethyl)-N-(3-methylphenyl)-1,3-thiazol-2-amine
CID 10647870
4-(2-aminoethyl)-N-(2,4-dimethylphenyl)-1,3-thiazol-2-amine
CID 28711219
methyl 3-[2-(3-bromo-2-methylanilino)-1,3-thiazol-4-yl]propanoate
CID 107638494
2-[2-[(2-bromophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]ethanamine
CID 66145276
4-(2-aminoethyl)-N-[2-(2-fluorophenyl)ethyl]-1,3-thiazol-2-amine
CID 28710980
4-(2-aminoethyl)-N-[(2-methylphenyl)methyl]-1,3-thiazol-2-amine
CID 28710900
3-[2-(2-methylsulfanylanilino)-1,3-thiazol-4-yl]propanoic acid
CID 107647029
4-(2-aminoethyl)-N-cyclopentyl-1,3-thiazol-2-amine
CID 28710824
N-[4-(aminomethyl)phenyl]-2-bromoaniline
CID 117027399
4-butyl-N-phenyl-1,3-thiazol-2-amine
CID 141316457
methyl 2-[2-(2-fluoroanilino)-1,3-thiazol-4-yl]acetate
CID 112724634

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-N-(2-bromophenyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(2-aminoethyl)-N-(2-bromophenyl)-1,3-thiazol-2-amine (CID 28711493) is 4-(2-aminoethyl)-N-(2-bromophenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2-aminoethyl)-N-(2-bromophenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2-aminoethyl)-N-(2-bromophenyl)-1,3-thiazol-2-amine is NCCc1csc(Nc2ccccc2Br)n1.
What is the InChIKey of 4-(2-aminoethyl)-N-(2-bromophenyl)-1,3-thiazol-2-amine?
The InChIKey is GIYRYWQHCGVEIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3S/c12-9-3-1-2-4-10(9)15-11-14-8(5-6-13)7-16-11/h1-4,7H,5-6,13H2,(H,14,15).
What are the key properties of 4-(2-aminoethyl)-N-(2-bromophenyl)-1,3-thiazol-2-amine?
4-(2-aminoethyl)-N-(2-bromophenyl)-1,3-thiazol-2-amine has a molecular weight of 298.21 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-N-(2-bromophenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 28711493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).