2-(4-bromo-5-chlorothiophen-2-yl)-2-(4-methylpiperazin-1-yl)ethanamine

C11H17BrClN3S — CID 102838072

IUPAC2-(4-bromo-5-chlorothiophen-2-yl)-2-(4-methylpiperazin-1-yl)ethanamine
SMILESCN1CCN(C(CN)c2cc(Br)c(Cl)s2)CC1
InChIInChI=1S/C11H17BrClN3S/c1-15-2-4-16(5-3-15)9(7-14)10-6-8(12)11(13)17-10/h6,9H,2-5,7,14H2,1H3
InChIKeyRNYZIGHLNHTZJR-UHFFFAOYSA-N
MW338.70 g/mol
LogP2.41
Rot. Bonds3

About 2-(4-bromo-5-chlorothiophen-2-yl)-2-(4-methylpiperazin-1-yl)ethanamine

2-(4-bromo-5-chlorothiophen-2-yl)-2-(4-methylpiperazin-1-yl)ethanamine (PubChem CID 102838072) has the molecular formula C11H17BrClN3S and a molecular weight of 338.70 g/mol. Its IUPAC name is 2-(4-bromo-5-chlorothiophen-2-yl)-2-(4-methylpiperazin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(4-bromo-5-chlorothiophen-2-yl)-2-(4-methylpiperazin-1-yl)ethanamine
PubChem CID102838072
Molecular FormulaC11H17BrClN3S
Molecular Weight338.70 g/mol
Exact Mass337.00
IUPAC Name2-(4-bromo-5-chlorothiophen-2-yl)-2-(4-methylpiperazin-1-yl)ethanamine
SMILESCN1CCN(C(CN)c2cc(Br)c(Cl)s2)CC1
InChIInChI=1S/C11H17BrClN3S/c1-15-2-4-16(5-3-15)9(7-14)10-6-8(12)11(13)17-10/h6,9H,2-5,7,14H2,1H3
InChIKeyRNYZIGHLNHTZJR-UHFFFAOYSA-N
XLogP2.41
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.70
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromo-5-chlorothiophen-2-yl)-2-(4-methylsulfonylpiperazin-1-yl)ethanamine
CID 102839158
2-(4-bromo-5-chlorothiophen-2-yl)-2-(4-ethyl-4-methylpiperidin-1-yl)ethanamine
CID 102839181
2-(4-bromo-5-chlorothiophen-2-yl)-2-(4-propylpiperidin-1-yl)ethanamine
CID 102839070
2-(4-bromo-5-chlorothiophen-2-yl)-2-(7,7-dimethyl-1,4-thiazepan-4-yl)ethanamine
CID 107454245
2-(4-bromo-5-chlorothiophen-2-yl)-2-(4-ethyl-3-methylpiperazin-1-yl)ethanamine
CID 102839252
2-(4-bromo-5-chlorothiophen-2-yl)-2-(2,2,6,6-tetramethylmorpholin-4-yl)ethanamine
CID 102840074
2-(4-bromo-5-chlorothiophen-2-yl)-2-(3-methylpiperidin-1-yl)ethanamine
CID 102838082
2-(4-bromo-5-chlorothiophen-2-yl)-2-(3,3-diethylpyrrolidin-1-yl)ethanamine
CID 102839732
2-(4-bromo-5-chlorothiophen-2-yl)-2-(2-methylpyrrolidin-1-yl)ethanamine
CID 102838519
2-(4-butan-2-ylpiperazin-1-yl)-2-(4,5-dibromothiophen-2-yl)ethanamine
CID 102839099
2-(4-bromo-5-chlorothiophen-2-yl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanamine
CID 106586432
2-(4,5-dibromothiophen-2-yl)-2-piperidin-1-ylethanamine
CID 102838136

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-5-chlorothiophen-2-yl)-2-(4-methylpiperazin-1-yl)ethanamine?
The IUPAC name of 2-(4-bromo-5-chlorothiophen-2-yl)-2-(4-methylpiperazin-1-yl)ethanamine (CID 102838072) is 2-(4-bromo-5-chlorothiophen-2-yl)-2-(4-methylpiperazin-1-yl)ethanamine.
What is the SMILES notation for 2-(4-bromo-5-chlorothiophen-2-yl)-2-(4-methylpiperazin-1-yl)ethanamine?
The canonical SMILES for 2-(4-bromo-5-chlorothiophen-2-yl)-2-(4-methylpiperazin-1-yl)ethanamine is CN1CCN(C(CN)c2cc(Br)c(Cl)s2)CC1.
What is the InChIKey of 2-(4-bromo-5-chlorothiophen-2-yl)-2-(4-methylpiperazin-1-yl)ethanamine?
The InChIKey is RNYZIGHLNHTZJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrClN3S/c1-15-2-4-16(5-3-15)9(7-14)10-6-8(12)11(13)17-10/h6,9H,2-5,7,14H2,1H3.
What are the key properties of 2-(4-bromo-5-chlorothiophen-2-yl)-2-(4-methylpiperazin-1-yl)ethanamine?
2-(4-bromo-5-chlorothiophen-2-yl)-2-(4-methylpiperazin-1-yl)ethanamine has a molecular weight of 338.70 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-5-chlorothiophen-2-yl)-2-(4-methylpiperazin-1-yl)ethanamine is sourced from PubChem (CID 102838072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).