4-bromo-2-[2-(4-bromothiophen-2-yl)-1-hydrazinylethyl]aniline

C12H13Br2N3S — CID 105263590

IUPAC4-bromo-2-[2-(4-bromothiophen-2-yl)-1-hydrazinylethyl]aniline
SMILESNNC(Cc1cc(Br)cs1)c1cc(Br)ccc1N
InChIInChI=1S/C12H13Br2N3S/c13-7-1-2-11(15)10(4-7)12(17-16)5-9-3-8(14)6-18-9/h1-4,6,12,17H,5,15-16H2
InChIKeyZTSCLXGVWUYPBS-UHFFFAOYSA-N
MW391.13 g/mol
LogP3.60
Rot. Bonds4

About 4-bromo-2-[2-(4-bromothiophen-2-yl)-1-hydrazinylethyl]aniline

4-bromo-2-[2-(4-bromothiophen-2-yl)-1-hydrazinylethyl]aniline (PubChem CID 105263590) has the molecular formula C12H13Br2N3S and a molecular weight of 391.13 g/mol. Its IUPAC name is 4-bromo-2-[2-(4-bromothiophen-2-yl)-1-hydrazinylethyl]aniline.

Molecular Properties

Compound Name4-bromo-2-[2-(4-bromothiophen-2-yl)-1-hydrazinylethyl]aniline
PubChem CID105263590
Molecular FormulaC12H13Br2N3S
Molecular Weight391.13 g/mol
Exact Mass388.92
IUPAC Name4-bromo-2-[2-(4-bromothiophen-2-yl)-1-hydrazinylethyl]aniline
SMILESNNC(Cc1cc(Br)cs1)c1cc(Br)ccc1N
InChIInChI=1S/C12H13Br2N3S/c13-7-1-2-11(15)10(4-7)12(17-16)5-9-3-8(14)6-18-9/h1-4,6,12,17H,5,15-16H2
InChIKeyZTSCLXGVWUYPBS-UHFFFAOYSA-N
XLogP3.60
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.13
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[2-(4-bromothiophen-2-yl)-1-hydrazinylethyl]-4-(trifluoromethyl)aniline
CID 105264927
[1-(5-bromo-2-chlorophenyl)-2-(4-bromothiophen-2-yl)ethyl]hydrazine
CID 105299240
[2-(4-bromothiophen-2-yl)-1-[4-bromo-2-(trifluoromethyl)phenyl]ethyl]hydrazine
CID 105212857
[2-(4-bromothiophen-2-yl)-1-naphthalen-1-ylethyl]hydrazine
CID 105213280
4-bromo-2-[2-(furan-3-yl)-1-hydrazinylethyl]aniline
CID 105263473
4-[2-(4-bromothiophen-2-yl)-1-hydrazinylethyl]-1H-pyrazol-5-amine
CID 105231274
[1-(3-bromo-2-chlorophenyl)-2-(4-bromothiophen-2-yl)ethyl]hydrazine
CID 105299354
[2-(4-bromothiophen-2-yl)-1-(2-methoxyphenyl)ethyl]hydrazine
CID 105191242
4-bromo-2-[2-(4-tert-butyl-1,3-thiazol-2-yl)-1-hydrazinylethyl]aniline
CID 105263391
2-(4-bromothiophen-2-yl)-1-(2,5-dibromophenyl)-N-methylethanamine
CID 115848058
4-bromo-2-(1-hydrazinyl-2-pyridin-3-ylethyl)aniline
CID 105263506
2-(4-bromothiophen-2-yl)-1-(2,4-dibromophenyl)-N-methylethanamine
CID 114019256

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[2-(4-bromothiophen-2-yl)-1-hydrazinylethyl]aniline?
The IUPAC name of 4-bromo-2-[2-(4-bromothiophen-2-yl)-1-hydrazinylethyl]aniline (CID 105263590) is 4-bromo-2-[2-(4-bromothiophen-2-yl)-1-hydrazinylethyl]aniline.
What is the SMILES notation for 4-bromo-2-[2-(4-bromothiophen-2-yl)-1-hydrazinylethyl]aniline?
The canonical SMILES for 4-bromo-2-[2-(4-bromothiophen-2-yl)-1-hydrazinylethyl]aniline is NNC(Cc1cc(Br)cs1)c1cc(Br)ccc1N.
What is the InChIKey of 4-bromo-2-[2-(4-bromothiophen-2-yl)-1-hydrazinylethyl]aniline?
The InChIKey is ZTSCLXGVWUYPBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Br2N3S/c13-7-1-2-11(15)10(4-7)12(17-16)5-9-3-8(14)6-18-9/h1-4,6,12,17H,5,15-16H2.
What are the key properties of 4-bromo-2-[2-(4-bromothiophen-2-yl)-1-hydrazinylethyl]aniline?
4-bromo-2-[2-(4-bromothiophen-2-yl)-1-hydrazinylethyl]aniline has a molecular weight of 391.13 g/mol, XLogP of 3.60, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[2-(4-bromothiophen-2-yl)-1-hydrazinylethyl]aniline is sourced from PubChem (CID 105263590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).