[2-(3-chloro-4-pyridinyl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethyl]hydrazine

C15H16ClN3S — CID 105314735

IUPAC[2-(3-chloro-4-pyridinyl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethyl]hydrazine
SMILESNNC(Cc1ccncc1Cl)C1Cc2ccccc2S1
InChIInChI=1S/C15H16ClN3S/c16-12-9-18-6-5-10(12)7-13(19-17)15-8-11-3-1-2-4-14(11)20-15/h1-6,9,13,15,19H,7-8,17H2
InChIKeyYBGAOMKNKRRNJV-UHFFFAOYSA-N
MW305.83 g/mol
LogP2.83
Rot. Bonds4

About [2-(3-chloro-4-pyridinyl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethyl]hydrazine

[2-(3-chloro-4-pyridinyl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethyl]hydrazine (PubChem CID 105314735) has the molecular formula C15H16ClN3S and a molecular weight of 305.83 g/mol. Its IUPAC name is [2-(3-chloro-4-pyridinyl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(3-chloro-4-pyridinyl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethyl]hydrazine
PubChem CID105314735
Molecular FormulaC15H16ClN3S
Molecular Weight305.83 g/mol
Exact Mass305.08
IUPAC Name[2-(3-chloro-4-pyridinyl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethyl]hydrazine
SMILESNNC(Cc1ccncc1Cl)C1Cc2ccccc2S1
InChIInChI=1S/C15H16ClN3S/c16-12-9-18-6-5-10(12)7-13(19-17)15-8-11-3-1-2-4-14(11)20-15/h1-6,9,13,15,19H,7-8,17H2
InChIKeyYBGAOMKNKRRNJV-UHFFFAOYSA-N
XLogP2.83
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.83
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-2-yl)-2-pyridin-4-ylethyl]hydrazine
CID 105317497
[1-(2,3-dihydro-1-benzothiophen-2-yl)-2-methoxyethyl]hydrazine
CID 105321616
[1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(4-iodophenyl)ethyl]hydrazine
CID 105310289
[2-(3-bromothiophen-2-yl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethyl]hydrazine
CID 105299519
[2-(3-chloro-4-pyridinyl)-1-(4,4-dimethylcyclohexyl)ethyl]hydrazine
CID 105231726
[2,3-dihydro-1-benzothiophen-2-yl(pyridin-3-yl)methyl]hydrazine
CID 105287045
1-(2,3-dihydro-1-benzothiophen-2-yl)hex-4-ynylhydrazine
CID 105334973
[1-(2,3-dihydro-1-benzothiophen-2-yl)-3-methylhexyl]hydrazine
CID 105298148
N-[1-(2,3-dihydro-1-benzothiophen-2-yl)-2-pyridin-4-ylethyl]propan-1-amine
CID 105160573
2-(5-chloro-2-fluorophenyl)-1-(2,3-dihydro-1-benzothiophen-2-yl)-N-methylethanamine
CID 103053312
1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(2-fluorophenyl)-N-methylethanamine
CID 105090430
[1-(2,3-dihydro-1-benzothiophen-2-yl)-5,5,5-trifluoropentyl]hydrazine
CID 105328932

Frequently Asked Questions

What is the IUPAC name of [2-(3-chloro-4-pyridinyl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethyl]hydrazine?
The IUPAC name of [2-(3-chloro-4-pyridinyl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethyl]hydrazine (CID 105314735) is [2-(3-chloro-4-pyridinyl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(3-chloro-4-pyridinyl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethyl]hydrazine?
The canonical SMILES for [2-(3-chloro-4-pyridinyl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethyl]hydrazine is NNC(Cc1ccncc1Cl)C1Cc2ccccc2S1.
What is the InChIKey of [2-(3-chloro-4-pyridinyl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethyl]hydrazine?
The InChIKey is YBGAOMKNKRRNJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3S/c16-12-9-18-6-5-10(12)7-13(19-17)15-8-11-3-1-2-4-14(11)20-15/h1-6,9,13,15,19H,7-8,17H2.
What are the key properties of [2-(3-chloro-4-pyridinyl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethyl]hydrazine?
[2-(3-chloro-4-pyridinyl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethyl]hydrazine has a molecular weight of 305.83 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chloro-4-pyridinyl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethyl]hydrazine is sourced from PubChem (CID 105314735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).