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

C15H17BrN2S — CID 3368367

IUPAC4-(4-bromophenyl)-N-cyclohexyl-1,3-thiazol-2-amine
SMILESBrc1ccc(-c2csc(NC3CCCCC3)n2)cc1
InChIInChI=1S/C15H17BrN2S/c16-12-8-6-11(7-9-12)14-10-19-15(18-14)17-13-4-2-1-3-5-13/h6-10,13H,1-5H2,(H,17,18)
InChIKeyHMSVWTRFMOOGNW-UHFFFAOYSA-N
MW337.29 g/mol
LogP5.32
Rot. Bonds3

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

4-(4-bromophenyl)-N-cyclohexyl-1,3-thiazol-2-amine (PubChem CID 3368367) has the molecular formula C15H17BrN2S and a molecular weight of 337.29 g/mol. Its IUPAC name is 4-(4-bromophenyl)-N-cyclohexyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-bromophenyl)-N-cyclohexyl-1,3-thiazol-2-amine
PubChem CID3368367
Molecular FormulaC15H17BrN2S
Molecular Weight337.29 g/mol
Exact Mass336.03
IUPAC Name4-(4-bromophenyl)-N-cyclohexyl-1,3-thiazol-2-amine
SMILESBrc1ccc(-c2csc(NC3CCCCC3)n2)cc1
InChIInChI=1S/C15H17BrN2S/c16-12-8-6-11(7-9-12)14-10-19-15(18-14)17-13-4-2-1-3-5-13/h6-10,13H,1-5H2,(H,17,18)
InChIKeyHMSVWTRFMOOGNW-UHFFFAOYSA-N
XLogP5.32
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.29
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(4-bromophenyl)-N-cyclohexyl-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

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-N-cyclohexyl-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-bromophenyl)-N-cyclohexyl-1,3-thiazol-2-amine (CID 3368367) is 4-(4-bromophenyl)-N-cyclohexyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-bromophenyl)-N-cyclohexyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-bromophenyl)-N-cyclohexyl-1,3-thiazol-2-amine is Brc1ccc(-c2csc(NC3CCCCC3)n2)cc1.
What is the InChIKey of 4-(4-bromophenyl)-N-cyclohexyl-1,3-thiazol-2-amine?
The InChIKey is HMSVWTRFMOOGNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2S/c16-12-8-6-11(7-9-12)14-10-19-15(18-14)17-13-4-2-1-3-5-13/h6-10,13H,1-5H2,(H,17,18).
What are the key properties of 4-(4-bromophenyl)-N-cyclohexyl-1,3-thiazol-2-amine?
4-(4-bromophenyl)-N-cyclohexyl-1,3-thiazol-2-amine has a molecular weight of 337.29 g/mol, XLogP of 5.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-N-cyclohexyl-1,3-thiazol-2-amine is sourced from PubChem (CID 3368367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).