[2-(2,5-dimethylphenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethyl]hydrazine

C18H24N2S — CID 105287656

IUPAC[2-(2,5-dimethylphenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethyl]hydrazine
SMILESCc1ccc(C)c(CC(NN)c2cc3c(s2)CCCC3)c1
InChIInChI=1S/C18H24N2S/c1-12-7-8-13(2)15(9-12)10-16(20-19)18-11-14-5-3-4-6-17(14)21-18/h7-9,11,16,20H,3-6,10,19H2,1-2H3
InChIKeyMGEKNAQHYQLJAM-UHFFFAOYSA-N
MW300.47 g/mol
LogP3.99
Rot. Bonds4

About [2-(2,5-dimethylphenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethyl]hydrazine

[2-(2,5-dimethylphenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethyl]hydrazine (PubChem CID 105287656) has the molecular formula C18H24N2S and a molecular weight of 300.47 g/mol. Its IUPAC name is [2-(2,5-dimethylphenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(2,5-dimethylphenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethyl]hydrazine
PubChem CID105287656
Molecular FormulaC18H24N2S
Molecular Weight300.47 g/mol
Exact Mass300.17
IUPAC Name[2-(2,5-dimethylphenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethyl]hydrazine
SMILESCc1ccc(C)c(CC(NN)c2cc3c(s2)CCCC3)c1
InChIInChI=1S/C18H24N2S/c1-12-7-8-13(2)15(9-12)10-16(20-19)18-11-14-5-3-4-6-17(14)21-18/h7-9,11,16,20H,3-6,10,19H2,1-2H3
InChIKeyMGEKNAQHYQLJAM-UHFFFAOYSA-N
XLogP3.99
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 53.99
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'}

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Related Compounds

2-(2,5-dimethylphenyl)-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)ethanamine
CID 63527279
[2-(2,3-dichlorophenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethyl]hydrazine
CID 107312914
[2-(4-chlorophenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethyl]hydrazine
CID 105283232
1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)hex-4-ynylhydrazine
CID 105334885
[2-(5-chloro-2-fluorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethyl]hydrazine
CID 103053843
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105377291
[2-(4-chloro-2-fluorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethyl]hydrazine
CID 105342696
[1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(2-fluoro-3-methoxyphenyl)ethyl]hydrazine
CID 105334246
[5-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)hexyl]hydrazine
CID 105331199
1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)pentylhydrazine
CID 105293687
[3-ethyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)pentyl]hydrazine
CID 105330949
[2-(2,6-dichlorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethyl]hydrazine
CID 105293121

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dimethylphenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethyl]hydrazine?
The IUPAC name of [2-(2,5-dimethylphenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethyl]hydrazine (CID 105287656) is [2-(2,5-dimethylphenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(2,5-dimethylphenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethyl]hydrazine?
The canonical SMILES for [2-(2,5-dimethylphenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethyl]hydrazine is Cc1ccc(C)c(CC(NN)c2cc3c(s2)CCCC3)c1.
What is the InChIKey of [2-(2,5-dimethylphenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethyl]hydrazine?
The InChIKey is MGEKNAQHYQLJAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2S/c1-12-7-8-13(2)15(9-12)10-16(20-19)18-11-14-5-3-4-6-17(14)21-18/h7-9,11,16,20H,3-6,10,19H2,1-2H3.
What are the key properties of [2-(2,5-dimethylphenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethyl]hydrazine?
[2-(2,5-dimethylphenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethyl]hydrazine has a molecular weight of 300.47 g/mol, XLogP of 3.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dimethylphenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethyl]hydrazine is sourced from PubChem (CID 105287656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).