4-[2-(4-bromophenyl)-1,3-thiazol-4-yl]cyclohexan-1-amine

C15H17BrN2S — CID 116888872

IUPAC4-[2-(4-bromophenyl)-1,3-thiazol-4-yl]cyclohexan-1-amine
SMILESNC1CCC(c2csc(-c3ccc(Br)cc3)n2)CC1
InChIInChI=1S/C15H17BrN2S/c16-12-5-1-11(2-6-12)15-18-14(9-19-15)10-3-7-13(17)8-4-10/h1-2,5-6,9-10,13H,3-4,7-8,17H2
InChIKeyGELUJOMFJQPQRX-UHFFFAOYSA-N
MW337.29 g/mol
LogP4.56
Rot. Bonds2

About 4-[2-(4-bromophenyl)-1,3-thiazol-4-yl]cyclohexan-1-amine

4-[2-(4-bromophenyl)-1,3-thiazol-4-yl]cyclohexan-1-amine (PubChem CID 116888872) has the molecular formula C15H17BrN2S and a molecular weight of 337.29 g/mol. Its IUPAC name is 4-[2-(4-bromophenyl)-1,3-thiazol-4-yl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[2-(4-bromophenyl)-1,3-thiazol-4-yl]cyclohexan-1-amine
PubChem CID116888872
Molecular FormulaC15H17BrN2S
Molecular Weight337.29 g/mol
Exact Mass336.03
IUPAC Name4-[2-(4-bromophenyl)-1,3-thiazol-4-yl]cyclohexan-1-amine
SMILESNC1CCC(c2csc(-c3ccc(Br)cc3)n2)CC1
InChIInChI=1S/C15H17BrN2S/c16-12-5-1-11(2-6-12)15-18-14(9-19-15)10-3-7-13(17)8-4-10/h1-2,5-6,9-10,13H,3-4,7-8,17H2
InChIKeyGELUJOMFJQPQRX-UHFFFAOYSA-N
XLogP4.56
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.29
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[2-(4-bromophenyl)-1,3-thiazol-4-yl]cyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-bromophenyl)-1,3-thiazol-4-yl]cyclohexan-1-amine?
The IUPAC name of 4-[2-(4-bromophenyl)-1,3-thiazol-4-yl]cyclohexan-1-amine (CID 116888872) is 4-[2-(4-bromophenyl)-1,3-thiazol-4-yl]cyclohexan-1-amine.
What is the SMILES notation for 4-[2-(4-bromophenyl)-1,3-thiazol-4-yl]cyclohexan-1-amine?
The canonical SMILES for 4-[2-(4-bromophenyl)-1,3-thiazol-4-yl]cyclohexan-1-amine is NC1CCC(c2csc(-c3ccc(Br)cc3)n2)CC1.
What is the InChIKey of 4-[2-(4-bromophenyl)-1,3-thiazol-4-yl]cyclohexan-1-amine?
The InChIKey is GELUJOMFJQPQRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2S/c16-12-5-1-11(2-6-12)15-18-14(9-19-15)10-3-7-13(17)8-4-10/h1-2,5-6,9-10,13H,3-4,7-8,17H2.
What are the key properties of 4-[2-(4-bromophenyl)-1,3-thiazol-4-yl]cyclohexan-1-amine?
4-[2-(4-bromophenyl)-1,3-thiazol-4-yl]cyclohexan-1-amine has a molecular weight of 337.29 g/mol, XLogP of 4.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-bromophenyl)-1,3-thiazol-4-yl]cyclohexan-1-amine is sourced from PubChem (CID 116888872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).