(5-bromothiophen-2-yl)-(4-methylpiperazin-1-yl)methanone

C10H13BrN2OS — CID 17250175

IUPAC(5-bromothiophen-2-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2ccc(Br)s2)CC1
InChIInChI=1S/C10H13BrN2OS/c1-12-4-6-13(7-5-12)10(14)8-2-3-9(11)15-8/h2-3H,4-7H2,1H3
InChIKeyYLBDNLACBKXGPE-UHFFFAOYSA-N
MW289.20 g/mol
LogP1.90
Rot. Bonds1

About (5-bromothiophen-2-yl)-(4-methylpiperazin-1-yl)methanone

(5-bromothiophen-2-yl)-(4-methylpiperazin-1-yl)methanone (PubChem CID 17250175) has the molecular formula C10H13BrN2OS and a molecular weight of 289.20 g/mol. Its IUPAC name is (5-bromothiophen-2-yl)-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(5-bromothiophen-2-yl)-(4-methylpiperazin-1-yl)methanone
PubChem CID17250175
Molecular FormulaC10H13BrN2OS
Molecular Weight289.20 g/mol
Exact Mass287.99
IUPAC Name(5-bromothiophen-2-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2ccc(Br)s2)CC1
InChIInChI=1S/C10H13BrN2OS/c1-12-4-6-13(7-5-12)10(14)8-2-3-9(11)15-8/h2-3H,4-7H2,1H3
InChIKeyYLBDNLACBKXGPE-UHFFFAOYSA-N
XLogP1.90
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.20
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (5-bromothiophen-2-yl)-(4-methylpiperazin-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)-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of (5-bromothiophen-2-yl)-(4-methylpiperazin-1-yl)methanone (CID 17250175) is (5-bromothiophen-2-yl)-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for (5-bromothiophen-2-yl)-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for (5-bromothiophen-2-yl)-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)c2ccc(Br)s2)CC1.
What is the InChIKey of (5-bromothiophen-2-yl)-(4-methylpiperazin-1-yl)methanone?
The InChIKey is YLBDNLACBKXGPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2OS/c1-12-4-6-13(7-5-12)10(14)8-2-3-9(11)15-8/h2-3H,4-7H2,1H3.
What are the key properties of (5-bromothiophen-2-yl)-(4-methylpiperazin-1-yl)methanone?
(5-bromothiophen-2-yl)-(4-methylpiperazin-1-yl)methanone has a molecular weight of 289.20 g/mol, XLogP of 1.90, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromothiophen-2-yl)-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 17250175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).