[4-(5-bromothiophene-3-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone

C14H13BrN2O2S2 — CID 38004798

IUPAC[4-(5-bromothiophene-3-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1csc(Br)c1)N1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C14H13BrN2O2S2/c15-12-8-10(9-21-12)13(18)16-3-5-17(6-4-16)14(19)11-2-1-7-20-11/h1-2,7-9H,3-6H2
InChIKeySQBYGAMPYJIROJ-UHFFFAOYSA-N
MW385.31 g/mol
LogP3.17
Rot. Bonds2

About [4-(5-bromothiophene-3-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone

[4-(5-bromothiophene-3-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone (PubChem CID 38004798) has the molecular formula C14H13BrN2O2S2 and a molecular weight of 385.31 g/mol. Its IUPAC name is [4-(5-bromothiophene-3-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[4-(5-bromothiophene-3-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone
PubChem CID38004798
Molecular FormulaC14H13BrN2O2S2
Molecular Weight385.31 g/mol
Exact Mass383.96
IUPAC Name[4-(5-bromothiophene-3-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1csc(Br)c1)N1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C14H13BrN2O2S2/c15-12-8-10(9-21-12)13(18)16-3-5-17(6-4-16)14(19)11-2-1-7-20-11/h1-2,7-9H,3-6H2
InChIKeySQBYGAMPYJIROJ-UHFFFAOYSA-N
XLogP3.17
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.31
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-(5-bromothiophene-3-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone 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-bromophenyl)-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]methanone
CID 108545062
1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 60635968
(4-aminophenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone;hydrochloride
CID 119689026
(4-aminopiperazin-1-yl)-thiophen-2-ylmethanone
CID 19791267
(3-aminophenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone;hydrochloride
CID 119689053
[4-(4-bromo-1H-pyrrole-2-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 18115147
(4-methoxyphenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone
CID 717242
(2-bromofuran-3-yl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone
CID 106852804
(5-bromothiophen-3-yl)-piperazin-1-ylmethanone;hydrochloride
CID 119403242
(5-bromothiophen-3-yl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 43647141
(4-methylpiperazin-1-yl)-thiophen-2-ylmethanone;propane
CID 142296627
(4-benzhydrylpiperazin-1-yl)-thiophen-2-ylmethanone
CID 1154208

Frequently Asked Questions

What is the IUPAC name of [4-(5-bromothiophene-3-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [4-(5-bromothiophene-3-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone (CID 38004798) is [4-(5-bromothiophene-3-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [4-(5-bromothiophene-3-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [4-(5-bromothiophene-3-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone is O=C(c1csc(Br)c1)N1CCN(C(=O)c2cccs2)CC1.
What is the InChIKey of [4-(5-bromothiophene-3-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is SQBYGAMPYJIROJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O2S2/c15-12-8-10(9-21-12)13(18)16-3-5-17(6-4-16)14(19)11-2-1-7-20-11/h1-2,7-9H,3-6H2.
What are the key properties of [4-(5-bromothiophene-3-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone?
[4-(5-bromothiophene-3-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 385.31 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-bromothiophene-3-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 38004798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).