[1-(2,3-dihydro-1-benzothiophen-3-yl)-3-(1-methylimidazol-2-yl)propyl]hydrazine

C15H20N4S — CID 105340338

IUPAC[1-(2,3-dihydro-1-benzothiophen-3-yl)-3-(1-methylimidazol-2-yl)propyl]hydrazine
SMILESCn1ccnc1CCC(NN)C1CSc2ccccc21
InChIInChI=1S/C15H20N4S/c1-19-9-8-17-15(19)7-6-13(18-16)12-10-20-14-5-3-2-4-11(12)14/h2-5,8-9,12-13,18H,6-7,10,16H2,1H3
InChIKeyUAWUIQBSTKTFQC-UHFFFAOYSA-N
MW288.42 g/mol
LogP2.07
Rot. Bonds5

About [1-(2,3-dihydro-1-benzothiophen-3-yl)-3-(1-methylimidazol-2-yl)propyl]hydrazine

[1-(2,3-dihydro-1-benzothiophen-3-yl)-3-(1-methylimidazol-2-yl)propyl]hydrazine (PubChem CID 105340338) has the molecular formula C15H20N4S and a molecular weight of 288.42 g/mol. Its IUPAC name is [1-(2,3-dihydro-1-benzothiophen-3-yl)-3-(1-methylimidazol-2-yl)propyl]hydrazine.

Molecular Properties

Compound Name[1-(2,3-dihydro-1-benzothiophen-3-yl)-3-(1-methylimidazol-2-yl)propyl]hydrazine
PubChem CID105340338
Molecular FormulaC15H20N4S
Molecular Weight288.42 g/mol
Exact Mass288.14
IUPAC Name[1-(2,3-dihydro-1-benzothiophen-3-yl)-3-(1-methylimidazol-2-yl)propyl]hydrazine
SMILESCn1ccnc1CCC(NN)C1CSc2ccccc21
InChIInChI=1S/C15H20N4S/c1-19-9-8-17-15(19)7-6-13(18-16)12-10-20-14-5-3-2-4-11(12)14/h2-5,8-9,12-13,18H,6-7,10,16H2,1H3
InChIKeyUAWUIQBSTKTFQC-UHFFFAOYSA-N
XLogP2.07
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 52.07
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

1-(2,3-dihydro-1-benzothiophen-3-yl)-2-(1-methylimidazol-2-yl)ethanamine
CID 105167162
[1-(2,3-dihydro-1-benzothiophen-3-yl)-4,4-dimethylpentyl]hydrazine
CID 105300003
2,3-dihydro-1-benzothiophen-3-yl-(1-methylimidazol-2-yl)methanamine
CID 105149588
1-(2,3-dihydro-1-benzothiophen-3-yl)-N-ethyl-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103030479
[1-(2,3-dihydro-1-benzothiophen-3-yl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105318516
[1-(1,4-dimethylpiperazin-2-yl)-3-(1-methylimidazol-2-yl)propyl]hydrazine
CID 105247347
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine
CID 114530248
1-(2,3-dihydro-1,4-benzoxathiin-2-yl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 106600974
[2-(2-chlorophenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethyl]hydrazine
CID 105286555
1-cyclobutyl-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine
CID 114530243
N-[[1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)imidazol-2-yl]methyl]propan-2-amine
CID 79221515
1-(2,3-dihydro-1H-inden-2-yl)-3-(1-methylimidazol-2-yl)propan-1-amine
CID 114530343

Frequently Asked Questions

What is the IUPAC name of [1-(2,3-dihydro-1-benzothiophen-3-yl)-3-(1-methylimidazol-2-yl)propyl]hydrazine?
The IUPAC name of [1-(2,3-dihydro-1-benzothiophen-3-yl)-3-(1-methylimidazol-2-yl)propyl]hydrazine (CID 105340338) is [1-(2,3-dihydro-1-benzothiophen-3-yl)-3-(1-methylimidazol-2-yl)propyl]hydrazine.
What is the SMILES notation for [1-(2,3-dihydro-1-benzothiophen-3-yl)-3-(1-methylimidazol-2-yl)propyl]hydrazine?
The canonical SMILES for [1-(2,3-dihydro-1-benzothiophen-3-yl)-3-(1-methylimidazol-2-yl)propyl]hydrazine is Cn1ccnc1CCC(NN)C1CSc2ccccc21.
What is the InChIKey of [1-(2,3-dihydro-1-benzothiophen-3-yl)-3-(1-methylimidazol-2-yl)propyl]hydrazine?
The InChIKey is UAWUIQBSTKTFQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4S/c1-19-9-8-17-15(19)7-6-13(18-16)12-10-20-14-5-3-2-4-11(12)14/h2-5,8-9,12-13,18H,6-7,10,16H2,1H3.
What are the key properties of [1-(2,3-dihydro-1-benzothiophen-3-yl)-3-(1-methylimidazol-2-yl)propyl]hydrazine?
[1-(2,3-dihydro-1-benzothiophen-3-yl)-3-(1-methylimidazol-2-yl)propyl]hydrazine has a molecular weight of 288.42 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,3-dihydro-1-benzothiophen-3-yl)-3-(1-methylimidazol-2-yl)propyl]hydrazine is sourced from PubChem (CID 105340338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).