(2,5-dibromothiophen-3-yl)-[(2R)-2-methylpiperazin-1-yl]methanone

C10H12Br2N2OS — CID 103866744

IUPAC(2,5-dibromothiophen-3-yl)-[(2R)-2-methylpiperazin-1-yl]methanone
SMILESC[C@@H]1CNCCN1C(=O)c1cc(Br)sc1Br
InChIInChI=1S/C10H12Br2N2OS/c1-6-5-13-2-3-14(6)10(15)7-4-8(11)16-9(7)12/h4,6,13H,2-3,5H2,1H3/t6-/m1/s1
InChIKeyXOWCCFTVQCQTBV-ZCFIWIBFSA-N
MW368.09 g/mol
LogP2.71
Rot. Bonds1

About (2,5-dibromothiophen-3-yl)-[(2R)-2-methylpiperazin-1-yl]methanone

(2,5-dibromothiophen-3-yl)-[(2R)-2-methylpiperazin-1-yl]methanone (PubChem CID 103866744) has the molecular formula C10H12Br2N2OS and a molecular weight of 368.09 g/mol. Its IUPAC name is (2,5-dibromothiophen-3-yl)-[(2R)-2-methylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,5-dibromothiophen-3-yl)-[(2R)-2-methylpiperazin-1-yl]methanone
PubChem CID103866744
Molecular FormulaC10H12Br2N2OS
Molecular Weight368.09 g/mol
Exact Mass365.90
IUPAC Name(2,5-dibromothiophen-3-yl)-[(2R)-2-methylpiperazin-1-yl]methanone
SMILESC[C@@H]1CNCCN1C(=O)c1cc(Br)sc1Br
InChIInChI=1S/C10H12Br2N2OS/c1-6-5-13-2-3-14(6)10(15)7-4-8(11)16-9(7)12/h4,6,13H,2-3,5H2,1H3/t6-/m1/s1
InChIKeyXOWCCFTVQCQTBV-ZCFIWIBFSA-N
XLogP2.71
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.09
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,5-dibromothiophen-3-yl)-[(2R)-2-methylpiperazin-1-yl]methanone?
The IUPAC name of (2,5-dibromothiophen-3-yl)-[(2R)-2-methylpiperazin-1-yl]methanone (CID 103866744) is (2,5-dibromothiophen-3-yl)-[(2R)-2-methylpiperazin-1-yl]methanone.
What is the SMILES notation for (2,5-dibromothiophen-3-yl)-[(2R)-2-methylpiperazin-1-yl]methanone?
The canonical SMILES for (2,5-dibromothiophen-3-yl)-[(2R)-2-methylpiperazin-1-yl]methanone is C[C@@H]1CNCCN1C(=O)c1cc(Br)sc1Br.
What is the InChIKey of (2,5-dibromothiophen-3-yl)-[(2R)-2-methylpiperazin-1-yl]methanone?
The InChIKey is XOWCCFTVQCQTBV-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H12Br2N2OS/c1-6-5-13-2-3-14(6)10(15)7-4-8(11)16-9(7)12/h4,6,13H,2-3,5H2,1H3/t6-/m1/s1.
What are the key properties of (2,5-dibromothiophen-3-yl)-[(2R)-2-methylpiperazin-1-yl]methanone?
(2,5-dibromothiophen-3-yl)-[(2R)-2-methylpiperazin-1-yl]methanone has a molecular weight of 368.09 g/mol, XLogP of 2.71, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dibromothiophen-3-yl)-[(2R)-2-methylpiperazin-1-yl]methanone is sourced from PubChem (CID 103866744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).