[2-(1,3-benzothiazol-2-yl)-1-(4-bromothiophen-2-yl)ethyl]hydrazine

C13H12BrN3S2 — CID 105222503

IUPAC[2-(1,3-benzothiazol-2-yl)-1-(4-bromothiophen-2-yl)ethyl]hydrazine
SMILESNNC(Cc1nc2ccccc2s1)c1cc(Br)cs1
InChIInChI=1S/C13H12BrN3S2/c14-8-5-12(18-7-8)10(17-15)6-13-16-9-3-1-2-4-11(9)19-13/h1-5,7,10,17H,6,15H2
InChIKeyVAEQQWOJERKWIY-UHFFFAOYSA-N
MW354.30 g/mol
LogP3.87
Rot. Bonds4

About [2-(1,3-benzothiazol-2-yl)-1-(4-bromothiophen-2-yl)ethyl]hydrazine

[2-(1,3-benzothiazol-2-yl)-1-(4-bromothiophen-2-yl)ethyl]hydrazine (PubChem CID 105222503) has the molecular formula C13H12BrN3S2 and a molecular weight of 354.30 g/mol. Its IUPAC name is [2-(1,3-benzothiazol-2-yl)-1-(4-bromothiophen-2-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(1,3-benzothiazol-2-yl)-1-(4-bromothiophen-2-yl)ethyl]hydrazine
PubChem CID105222503
Molecular FormulaC13H12BrN3S2
Molecular Weight354.30 g/mol
Exact Mass352.97
IUPAC Name[2-(1,3-benzothiazol-2-yl)-1-(4-bromothiophen-2-yl)ethyl]hydrazine
SMILESNNC(Cc1nc2ccccc2s1)c1cc(Br)cs1
InChIInChI=1S/C13H12BrN3S2/c14-8-5-12(18-7-8)10(17-15)6-13-16-9-3-1-2-4-11(9)19-13/h1-5,7,10,17H,6,15H2
InChIKeyVAEQQWOJERKWIY-UHFFFAOYSA-N
XLogP3.87
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.30
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(1,3-benzothiazol-2-ylmethyl)-1-(4-bromothiophen-2-yl)ethanamine
CID 107167746
[2-(1,3-benzothiazol-2-yl)-1-(2-bromo-4-methylphenyl)ethyl]hydrazine
CID 105325075
[2-(1,3-benzothiazol-2-yl)-1-(2-bromo-5-methylphenyl)ethyl]hydrazine
CID 105325149
[2-(1,3-benzothiazol-2-yl)-1-pyridin-2-ylethyl]hydrazine
CID 105195863
[2-(1-benzothiophen-3-yl)-1-(4-bromothiophen-2-yl)ethyl]hydrazine
CID 105222485
2-(1,3-benzothiazol-2-yl)-1-(3,5-dibromophenyl)-N-methylethanamine
CID 107976569
[2-(1,3-benzothiazol-2-yl)-1-(5-chlorofuran-2-yl)ethyl]hydrazine
CID 106694613
[2-(1,3-benzothiazol-2-yl)-1-(2,5-dimethylphenyl)ethyl]hydrazine
CID 105325082
2-(1,3-benzothiazol-2-yl)-1-(4,5-dibromothiophen-2-yl)-N-methylethanamine
CID 80537919
[2-(1,3-benzothiazol-2-yl)-1-(3-chloro-5-methylphenyl)ethyl]hydrazine
CID 105325041
[1-(4-bromothiophen-2-yl)-2-(2-fluorophenyl)ethyl]hydrazine
CID 105222468
[2-(1,3-benzothiazol-2-yl)-1-(3-methyl-2-pyridinyl)ethyl]hydrazine
CID 105209241

Frequently Asked Questions

What is the IUPAC name of [2-(1,3-benzothiazol-2-yl)-1-(4-bromothiophen-2-yl)ethyl]hydrazine?
The IUPAC name of [2-(1,3-benzothiazol-2-yl)-1-(4-bromothiophen-2-yl)ethyl]hydrazine (CID 105222503) is [2-(1,3-benzothiazol-2-yl)-1-(4-bromothiophen-2-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(1,3-benzothiazol-2-yl)-1-(4-bromothiophen-2-yl)ethyl]hydrazine?
The canonical SMILES for [2-(1,3-benzothiazol-2-yl)-1-(4-bromothiophen-2-yl)ethyl]hydrazine is NNC(Cc1nc2ccccc2s1)c1cc(Br)cs1.
What is the InChIKey of [2-(1,3-benzothiazol-2-yl)-1-(4-bromothiophen-2-yl)ethyl]hydrazine?
The InChIKey is VAEQQWOJERKWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN3S2/c14-8-5-12(18-7-8)10(17-15)6-13-16-9-3-1-2-4-11(9)19-13/h1-5,7,10,17H,6,15H2.
What are the key properties of [2-(1,3-benzothiazol-2-yl)-1-(4-bromothiophen-2-yl)ethyl]hydrazine?
[2-(1,3-benzothiazol-2-yl)-1-(4-bromothiophen-2-yl)ethyl]hydrazine has a molecular weight of 354.30 g/mol, XLogP of 3.87, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,3-benzothiazol-2-yl)-1-(4-bromothiophen-2-yl)ethyl]hydrazine is sourced from PubChem (CID 105222503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).