1-(1-benzothiophen-3-yl)pent-4-ynylhydrazine

C13H14N2S — CID 105307898

IUPAC1-(1-benzothiophen-3-yl)pent-4-ynylhydrazine
SMILESC#CCCC(NN)c1csc2ccccc12
InChIInChI=1S/C13H14N2S/c1-2-3-7-12(15-14)11-9-16-13-8-5-4-6-10(11)13/h1,4-6,8-9,12,15H,3,7,14H2
InChIKeyPTXMVCHWOMPMED-UHFFFAOYSA-N
MW230.34 g/mol
LogP2.82
Rot. Bonds4

About 1-(1-benzothiophen-3-yl)pent-4-ynylhydrazine

1-(1-benzothiophen-3-yl)pent-4-ynylhydrazine (PubChem CID 105307898) has the molecular formula C13H14N2S and a molecular weight of 230.34 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-yl)pent-4-ynylhydrazine.

Molecular Properties

Compound Name1-(1-benzothiophen-3-yl)pent-4-ynylhydrazine
PubChem CID105307898
Molecular FormulaC13H14N2S
Molecular Weight230.34 g/mol
Exact Mass230.09
IUPAC Name1-(1-benzothiophen-3-yl)pent-4-ynylhydrazine
SMILESC#CCCC(NN)c1csc2ccccc12
InChIInChI=1S/C13H14N2S/c1-2-3-7-12(15-14)11-9-16-13-8-5-4-6-10(11)13/h1,4-6,8-9,12,15H,3,7,14H2
InChIKeyPTXMVCHWOMPMED-UHFFFAOYSA-N
XLogP2.82
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.34
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(1-benzothiophen-3-yl)but-3-enylhydrazine
CID 105289618
[1-(1-benzothiophen-3-yl)-3-methylhexyl]hydrazine
CID 105298182
[1-(1-benzothiophen-3-yl)-3-methylbut-3-enyl]hydrazine
CID 105319578
[1-(1-benzothiophen-3-yl)-2-ethoxyethyl]hydrazine
CID 105321248
1-(1-benzothiophen-3-yl)-N-methylpropane-1,3-diamine
CID 116948479
3-(1-benzothiophen-3-yl)-3-(methylamino)propan-1-ol
CID 116952885
(1S)-2-amino-1-(1-benzothiophen-3-yl)ethanol
CID 94550197
[1-(1-benzothiophen-3-yl)-2-(3-fluorophenyl)ethyl]hydrazine
CID 105286405
1-(1-benzothiophen-3-yl)-N-but-2-ynylethane-1,2-diamine
CID 113464571
1-(1-benzothiophen-3-yl)-N-ethylbutan-1-amine
CID 43492291
1-(1-benzothiophen-3-yl)-N-(2-chlorophenyl)ethane-1,2-diamine
CID 65377930
1-(1-benzothiophen-3-yl)prop-2-yn-1-ol
CID 64914371

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-3-yl)pent-4-ynylhydrazine?
The IUPAC name of 1-(1-benzothiophen-3-yl)pent-4-ynylhydrazine (CID 105307898) is 1-(1-benzothiophen-3-yl)pent-4-ynylhydrazine.
What is the SMILES notation for 1-(1-benzothiophen-3-yl)pent-4-ynylhydrazine?
The canonical SMILES for 1-(1-benzothiophen-3-yl)pent-4-ynylhydrazine is C#CCCC(NN)c1csc2ccccc12.
What is the InChIKey of 1-(1-benzothiophen-3-yl)pent-4-ynylhydrazine?
The InChIKey is PTXMVCHWOMPMED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2S/c1-2-3-7-12(15-14)11-9-16-13-8-5-4-6-10(11)13/h1,4-6,8-9,12,15H,3,7,14H2.
What are the key properties of 1-(1-benzothiophen-3-yl)pent-4-ynylhydrazine?
1-(1-benzothiophen-3-yl)pent-4-ynylhydrazine has a molecular weight of 230.34 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-3-yl)pent-4-ynylhydrazine is sourced from PubChem (CID 105307898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).