[5-bromo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]methanamine

C14H17BrN4S — CID 114889471

IUPAC[5-bromo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]methanamine
SMILESNCc1cc(Br)ccc1N1CCN(c2nccs2)CC1
InChIInChI=1S/C14H17BrN4S/c15-12-1-2-13(11(9-12)10-16)18-4-6-19(7-5-18)14-17-3-8-20-14/h1-3,8-9H,4-7,10,16H2
InChIKeyRKKSOMQATHQMSA-UHFFFAOYSA-N
MW353.29 g/mol
LogP2.69
Rot. Bonds3

About [5-bromo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]methanamine

[5-bromo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]methanamine (PubChem CID 114889471) has the molecular formula C14H17BrN4S and a molecular weight of 353.29 g/mol. Its IUPAC name is [5-bromo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]methanamine.

Molecular Properties

Compound Name[5-bromo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]methanamine
PubChem CID114889471
Molecular FormulaC14H17BrN4S
Molecular Weight353.29 g/mol
Exact Mass352.04
IUPAC Name[5-bromo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]methanamine
SMILESNCc1cc(Br)ccc1N1CCN(c2nccs2)CC1
InChIInChI=1S/C14H17BrN4S/c15-12-1-2-13(11(9-12)10-16)18-4-6-19(7-5-18)14-17-3-8-20-14/h1-3,8-9H,4-7,10,16H2
InChIKeyRKKSOMQATHQMSA-UHFFFAOYSA-N
XLogP2.69
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.29
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [5-bromo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]methanamine 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-[4-bromo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]ethanamine
CID 63783031
[2-bromo-3-fluoro-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]methanamine
CID 107532169
5-bromo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]benzenecarbothioamide
CID 114891210
1-[4-bromo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]ethanone
CID 82956334
2-[4-[2-(bromomethyl)-5-chlorophenyl]piperazin-1-yl]-1,3-thiazole
CID 107079219
[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazol-5-yl]methanamine
CID 62752365
[4-bromo-2-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methanamine
CID 43364922
[5-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]furan-2-yl]methanamine
CID 62423654
[6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-3-pyridinyl]methanamine
CID 43528572
(5-bromo-2-hydroxyphenyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 41433639
[3-fluoro-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]methanol
CID 43121061
(1R)-1-[3-chloro-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]ethanamine
CID 63368236

Frequently Asked Questions

What is the IUPAC name of [5-bromo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]methanamine?
The IUPAC name of [5-bromo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]methanamine (CID 114889471) is [5-bromo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]methanamine.
What is the SMILES notation for [5-bromo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]methanamine?
The canonical SMILES for [5-bromo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]methanamine is NCc1cc(Br)ccc1N1CCN(c2nccs2)CC1.
What is the InChIKey of [5-bromo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]methanamine?
The InChIKey is RKKSOMQATHQMSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4S/c15-12-1-2-13(11(9-12)10-16)18-4-6-19(7-5-18)14-17-3-8-20-14/h1-3,8-9H,4-7,10,16H2.
What are the key properties of [5-bromo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]methanamine?
[5-bromo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]methanamine has a molecular weight of 353.29 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]methanamine is sourced from PubChem (CID 114889471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).