(5-bromothiophen-3-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride

C10H14BrClN2OS — CID 119473006

IUPAC(5-bromothiophen-3-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
SMILESCC1CNCCN1C(=O)c1csc(Br)c1.Cl
InChIInChI=1S/C10H13BrN2OS.ClH/c1-7-5-12-2-3-13(7)10(14)8-4-9(11)15-6-8;/h4,6-7,12H,2-3,5H2,1H3;1H
InChIKeyZAODYNCWMIJOQX-UHFFFAOYSA-N
MW325.66 g/mol
LogP2.37
Rot. Bonds1

About (5-bromothiophen-3-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride

(5-bromothiophen-3-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride (PubChem CID 119473006) has the molecular formula C10H14BrClN2OS and a molecular weight of 325.66 g/mol. Its IUPAC name is (5-bromothiophen-3-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(5-bromothiophen-3-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
PubChem CID119473006
Molecular FormulaC10H14BrClN2OS
Molecular Weight325.66 g/mol
Exact Mass323.97
IUPAC Name(5-bromothiophen-3-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
SMILESCC1CNCCN1C(=O)c1csc(Br)c1.Cl
InChIInChI=1S/C10H13BrN2OS.ClH/c1-7-5-12-2-3-13(7)10(14)8-4-9(11)15-6-8;/h4,6-7,12H,2-3,5H2,1H3;1H
InChIKeyZAODYNCWMIJOQX-UHFFFAOYSA-N
XLogP2.37
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.66
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-iodothiophen-3-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119470762
1-(5-bromothiophene-3-carbonyl)piperazine-2-carboxamide
CID 107963605
(5-bromothiophen-3-yl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120734960
(2,5-dibromothiophen-3-yl)-[(2R)-2-methylpiperazin-1-yl]methanone
CID 103866744
(4-iodophenyl)-(2-methylpiperazin-1-yl)methanone
CID 62671877
(5-bromothiophen-3-yl)-piperazin-1-ylmethanone;hydrochloride
CID 119403242
(5-bromothiophen-3-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride
CID 120737625
1-benzothiophen-5-yl-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119471361
(5-bromothiophen-2-yl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82705475
(4-bromo-3-fluorophenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82704738
(4-chlorophenyl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119472310
(3-bromo-4-methoxyphenyl)-[(2R)-2-methylpiperazin-1-yl]methanone
CID 82705366

Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-3-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride?
The IUPAC name of (5-bromothiophen-3-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride (CID 119473006) is (5-bromothiophen-3-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride.
What is the SMILES notation for (5-bromothiophen-3-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride?
The canonical SMILES for (5-bromothiophen-3-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride is CC1CNCCN1C(=O)c1csc(Br)c1.Cl.
What is the InChIKey of (5-bromothiophen-3-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride?
The InChIKey is ZAODYNCWMIJOQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2OS.ClH/c1-7-5-12-2-3-13(7)10(14)8-4-9(11)15-6-8;/h4,6-7,12H,2-3,5H2,1H3;1H.
What are the key properties of (5-bromothiophen-3-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride?
(5-bromothiophen-3-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride has a molecular weight of 325.66 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromothiophen-3-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 119473006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).