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

C10H13BrN2OS — CID 116919836

IUPAC(4-bromothiophen-2-yl)-(4-methylpiperazin-2-yl)methanone
SMILESCN1CCNC(C(=O)c2cc(Br)cs2)C1
InChIInChI=1S/C10H13BrN2OS/c1-13-3-2-12-8(5-13)10(14)9-4-7(11)6-15-9/h4,6,8,12H,2-3,5H2,1H3
InChIKeyHQHVCUJMSWOZFN-UHFFFAOYSA-N
MW289.20 g/mol
LogP1.60
Rot. Bonds2

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

(4-bromothiophen-2-yl)-(4-methylpiperazin-2-yl)methanone (PubChem CID 116919836) has the molecular formula C10H13BrN2OS and a molecular weight of 289.20 g/mol. Its IUPAC name is (4-bromothiophen-2-yl)-(4-methylpiperazin-2-yl)methanone.

Molecular Properties

Compound Name(4-bromothiophen-2-yl)-(4-methylpiperazin-2-yl)methanone
PubChem CID116919836
Molecular FormulaC10H13BrN2OS
Molecular Weight289.20 g/mol
Exact Mass287.99
IUPAC Name(4-bromothiophen-2-yl)-(4-methylpiperazin-2-yl)methanone
SMILESCN1CCNC(C(=O)c2cc(Br)cs2)C1
InChIInChI=1S/C10H13BrN2OS/c1-13-3-2-12-8(5-13)10(14)9-4-7(11)6-15-9/h4,6,8,12H,2-3,5H2,1H3
InChIKeyHQHVCUJMSWOZFN-UHFFFAOYSA-N
XLogP1.60
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.20
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-bromothiophen-2-yl)-(4-methylpiperazin-2-yl)methanone?
The IUPAC name of (4-bromothiophen-2-yl)-(4-methylpiperazin-2-yl)methanone (CID 116919836) is (4-bromothiophen-2-yl)-(4-methylpiperazin-2-yl)methanone.
What is the SMILES notation for (4-bromothiophen-2-yl)-(4-methylpiperazin-2-yl)methanone?
The canonical SMILES for (4-bromothiophen-2-yl)-(4-methylpiperazin-2-yl)methanone is CN1CCNC(C(=O)c2cc(Br)cs2)C1.
What is the InChIKey of (4-bromothiophen-2-yl)-(4-methylpiperazin-2-yl)methanone?
The InChIKey is HQHVCUJMSWOZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2OS/c1-13-3-2-12-8(5-13)10(14)9-4-7(11)6-15-9/h4,6,8,12H,2-3,5H2,1H3.
What are the key properties of (4-bromothiophen-2-yl)-(4-methylpiperazin-2-yl)methanone?
(4-bromothiophen-2-yl)-(4-methylpiperazin-2-yl)methanone has a molecular weight of 289.20 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromothiophen-2-yl)-(4-methylpiperazin-2-yl)methanone is sourced from PubChem (CID 116919836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).