2-(5-bromothiophen-2-yl)-1-(1,4-dimethylpiperazin-2-yl)-N-ethylethanamine

C14H24BrN3S — CID 79658778

IUPAC2-(5-bromothiophen-2-yl)-1-(1,4-dimethylpiperazin-2-yl)-N-ethylethanamine
SMILESCCNC(Cc1ccc(Br)s1)C1CN(C)CCN1C
InChIInChI=1S/C14H24BrN3S/c1-4-16-12(9-11-5-6-14(15)19-11)13-10-17(2)7-8-18(13)3/h5-6,12-13,16H,4,7-10H2,1-3H3
InChIKeyOJENSZSUVLEXGB-UHFFFAOYSA-N
MW346.34 g/mol
LogP2.28
Rot. Bonds5

About 2-(5-bromothiophen-2-yl)-1-(1,4-dimethylpiperazin-2-yl)-N-ethylethanamine

2-(5-bromothiophen-2-yl)-1-(1,4-dimethylpiperazin-2-yl)-N-ethylethanamine (PubChem CID 79658778) has the molecular formula C14H24BrN3S and a molecular weight of 346.34 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-1-(1,4-dimethylpiperazin-2-yl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-1-(1,4-dimethylpiperazin-2-yl)-N-ethylethanamine
PubChem CID79658778
Molecular FormulaC14H24BrN3S
Molecular Weight346.34 g/mol
Exact Mass345.09
IUPAC Name2-(5-bromothiophen-2-yl)-1-(1,4-dimethylpiperazin-2-yl)-N-ethylethanamine
SMILESCCNC(Cc1ccc(Br)s1)C1CN(C)CCN1C
InChIInChI=1S/C14H24BrN3S/c1-4-16-12(9-11-5-6-14(15)19-11)13-10-17(2)7-8-18(13)3/h5-6,12-13,16H,4,7-10H2,1-3H3
InChIKeyOJENSZSUVLEXGB-UHFFFAOYSA-N
XLogP2.28
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.34
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-1-(1,4-dimethylpiperazin-2-yl)-N-ethylethanamine?
The IUPAC name of 2-(5-bromothiophen-2-yl)-1-(1,4-dimethylpiperazin-2-yl)-N-ethylethanamine (CID 79658778) is 2-(5-bromothiophen-2-yl)-1-(1,4-dimethylpiperazin-2-yl)-N-ethylethanamine.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-1-(1,4-dimethylpiperazin-2-yl)-N-ethylethanamine?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-1-(1,4-dimethylpiperazin-2-yl)-N-ethylethanamine is CCNC(Cc1ccc(Br)s1)C1CN(C)CCN1C.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-1-(1,4-dimethylpiperazin-2-yl)-N-ethylethanamine?
The InChIKey is OJENSZSUVLEXGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24BrN3S/c1-4-16-12(9-11-5-6-14(15)19-11)13-10-17(2)7-8-18(13)3/h5-6,12-13,16H,4,7-10H2,1-3H3.
What are the key properties of 2-(5-bromothiophen-2-yl)-1-(1,4-dimethylpiperazin-2-yl)-N-ethylethanamine?
2-(5-bromothiophen-2-yl)-1-(1,4-dimethylpiperazin-2-yl)-N-ethylethanamine has a molecular weight of 346.34 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-1-(1,4-dimethylpiperazin-2-yl)-N-ethylethanamine is sourced from PubChem (CID 79658778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).