(5-bromothiophen-2-yl)-(2,5-diethylpiperazin-1-yl)methanone

C13H19BrN2OS — CID 64978281

IUPAC(5-bromothiophen-2-yl)-(2,5-diethylpiperazin-1-yl)methanone
SMILESCCC1CN(C(=O)c2ccc(Br)s2)C(CC)CN1
InChIInChI=1S/C13H19BrN2OS/c1-3-9-8-16(10(4-2)7-15-9)13(17)11-5-6-12(14)18-11/h5-6,9-10,15H,3-4,7-8H2,1-2H3
InChIKeyRHTLHRSNTCMGOK-UHFFFAOYSA-N
MW331.28 g/mol
LogP3.11
Rot. Bonds3

About (5-bromothiophen-2-yl)-(2,5-diethylpiperazin-1-yl)methanone

(5-bromothiophen-2-yl)-(2,5-diethylpiperazin-1-yl)methanone (PubChem CID 64978281) has the molecular formula C13H19BrN2OS and a molecular weight of 331.28 g/mol. Its IUPAC name is (5-bromothiophen-2-yl)-(2,5-diethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(5-bromothiophen-2-yl)-(2,5-diethylpiperazin-1-yl)methanone
PubChem CID64978281
Molecular FormulaC13H19BrN2OS
Molecular Weight331.28 g/mol
Exact Mass330.04
IUPAC Name(5-bromothiophen-2-yl)-(2,5-diethylpiperazin-1-yl)methanone
SMILESCCC1CN(C(=O)c2ccc(Br)s2)C(CC)CN1
InChIInChI=1S/C13H19BrN2OS/c1-3-9-8-16(10(4-2)7-15-9)13(17)11-5-6-12(14)18-11/h5-6,9-10,15H,3-4,7-8H2,1-2H3
InChIKeyRHTLHRSNTCMGOK-UHFFFAOYSA-N
XLogP3.11
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.28
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (5-bromothiophen-2-yl)-(2,5-diethylpiperazin-1-yl)methanone 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 (5-bromothiophen-2-yl)-(2,5-diethylpiperazin-1-yl)methanone?
The IUPAC name of (5-bromothiophen-2-yl)-(2,5-diethylpiperazin-1-yl)methanone (CID 64978281) is (5-bromothiophen-2-yl)-(2,5-diethylpiperazin-1-yl)methanone.
What is the SMILES notation for (5-bromothiophen-2-yl)-(2,5-diethylpiperazin-1-yl)methanone?
The canonical SMILES for (5-bromothiophen-2-yl)-(2,5-diethylpiperazin-1-yl)methanone is CCC1CN(C(=O)c2ccc(Br)s2)C(CC)CN1.
What is the InChIKey of (5-bromothiophen-2-yl)-(2,5-diethylpiperazin-1-yl)methanone?
The InChIKey is RHTLHRSNTCMGOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2OS/c1-3-9-8-16(10(4-2)7-15-9)13(17)11-5-6-12(14)18-11/h5-6,9-10,15H,3-4,7-8H2,1-2H3.
What are the key properties of (5-bromothiophen-2-yl)-(2,5-diethylpiperazin-1-yl)methanone?
(5-bromothiophen-2-yl)-(2,5-diethylpiperazin-1-yl)methanone has a molecular weight of 331.28 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromothiophen-2-yl)-(2,5-diethylpiperazin-1-yl)methanone is sourced from PubChem (CID 64978281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).