[3-(1H-imidazol-2-ylsulfanylmethyl)quinolin-2-yl]hydrazine

C13H13N5S — CID 107782372

IUPAC[3-(1H-imidazol-2-ylsulfanylmethyl)quinolin-2-yl]hydrazine
SMILESNNc1nc2ccccc2cc1CSc1ncc[nH]1
InChIInChI=1S/C13H13N5S/c14-18-12-10(8-19-13-15-5-6-16-13)7-9-3-1-2-4-11(9)17-12/h1-7H,8,14H2,(H,15,16)(H,17,18)
InChIKeyPQSBMCTWKQCOFA-UHFFFAOYSA-N
MW271.35 g/mol
LogP2.54
Rot. Bonds4

About [3-(1H-imidazol-2-ylsulfanylmethyl)quinolin-2-yl]hydrazine

[3-(1H-imidazol-2-ylsulfanylmethyl)quinolin-2-yl]hydrazine (PubChem CID 107782372) has the molecular formula C13H13N5S and a molecular weight of 271.35 g/mol. Its IUPAC name is [3-(1H-imidazol-2-ylsulfanylmethyl)quinolin-2-yl]hydrazine.

Molecular Properties

Compound Name[3-(1H-imidazol-2-ylsulfanylmethyl)quinolin-2-yl]hydrazine
PubChem CID107782372
Molecular FormulaC13H13N5S
Molecular Weight271.35 g/mol
Exact Mass271.09
IUPAC Name[3-(1H-imidazol-2-ylsulfanylmethyl)quinolin-2-yl]hydrazine
SMILESNNc1nc2ccccc2cc1CSc1ncc[nH]1
InChIInChI=1S/C13H13N5S/c14-18-12-10(8-19-13-15-5-6-16-13)7-9-3-1-2-4-11(9)17-12/h1-7H,8,14H2,(H,15,16)(H,17,18)
InChIKeyPQSBMCTWKQCOFA-UHFFFAOYSA-N
XLogP2.54
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 52.54
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of [3-(1H-imidazol-2-ylsulfanylmethyl)quinolin-2-yl]hydrazine?
The IUPAC name of [3-(1H-imidazol-2-ylsulfanylmethyl)quinolin-2-yl]hydrazine (CID 107782372) is [3-(1H-imidazol-2-ylsulfanylmethyl)quinolin-2-yl]hydrazine.
What is the SMILES notation for [3-(1H-imidazol-2-ylsulfanylmethyl)quinolin-2-yl]hydrazine?
The canonical SMILES for [3-(1H-imidazol-2-ylsulfanylmethyl)quinolin-2-yl]hydrazine is NNc1nc2ccccc2cc1CSc1ncc[nH]1.
What is the InChIKey of [3-(1H-imidazol-2-ylsulfanylmethyl)quinolin-2-yl]hydrazine?
The InChIKey is PQSBMCTWKQCOFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5S/c14-18-12-10(8-19-13-15-5-6-16-13)7-9-3-1-2-4-11(9)17-12/h1-7H,8,14H2,(H,15,16)(H,17,18).
What are the key properties of [3-(1H-imidazol-2-ylsulfanylmethyl)quinolin-2-yl]hydrazine?
[3-(1H-imidazol-2-ylsulfanylmethyl)quinolin-2-yl]hydrazine has a molecular weight of 271.35 g/mol, XLogP of 2.54, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1H-imidazol-2-ylsulfanylmethyl)quinolin-2-yl]hydrazine is sourced from PubChem (CID 107782372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).