[3-(1,3-thiazol-2-ylsulfanylmethyl)quinolin-2-yl]hydrazine

C13H12N4S2 — CID 62252880

IUPAC[3-(1,3-thiazol-2-ylsulfanylmethyl)quinolin-2-yl]hydrazine
SMILESNNc1nc2ccccc2cc1CSc1nccs1
InChIInChI=1S/C13H12N4S2/c14-17-12-10(8-19-13-15-5-6-18-13)7-9-3-1-2-4-11(9)16-12/h1-7H,8,14H2,(H,16,17)
InChIKeyGJAHGIPPMDDSSI-UHFFFAOYSA-N
MW288.40 g/mol
LogP3.27
Rot. Bonds4

About [3-(1,3-thiazol-2-ylsulfanylmethyl)quinolin-2-yl]hydrazine

[3-(1,3-thiazol-2-ylsulfanylmethyl)quinolin-2-yl]hydrazine (PubChem CID 62252880) has the molecular formula C13H12N4S2 and a molecular weight of 288.40 g/mol. Its IUPAC name is [3-(1,3-thiazol-2-ylsulfanylmethyl)quinolin-2-yl]hydrazine.

Molecular Properties

Compound Name[3-(1,3-thiazol-2-ylsulfanylmethyl)quinolin-2-yl]hydrazine
PubChem CID62252880
Molecular FormulaC13H12N4S2
Molecular Weight288.40 g/mol
Exact Mass288.05
IUPAC Name[3-(1,3-thiazol-2-ylsulfanylmethyl)quinolin-2-yl]hydrazine
SMILESNNc1nc2ccccc2cc1CSc1nccs1
InChIInChI=1S/C13H12N4S2/c14-17-12-10(8-19-13-15-5-6-18-13)7-9-3-1-2-4-11(9)16-12/h1-7H,8,14H2,(H,16,17)
InChIKeyGJAHGIPPMDDSSI-UHFFFAOYSA-N
XLogP3.27
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}, {'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-(1,3-thiazol-2-ylsulfanylmethyl)quinolin-2-yl]hydrazine?
The IUPAC name of [3-(1,3-thiazol-2-ylsulfanylmethyl)quinolin-2-yl]hydrazine (CID 62252880) is [3-(1,3-thiazol-2-ylsulfanylmethyl)quinolin-2-yl]hydrazine.
What is the SMILES notation for [3-(1,3-thiazol-2-ylsulfanylmethyl)quinolin-2-yl]hydrazine?
The canonical SMILES for [3-(1,3-thiazol-2-ylsulfanylmethyl)quinolin-2-yl]hydrazine is NNc1nc2ccccc2cc1CSc1nccs1.
What is the InChIKey of [3-(1,3-thiazol-2-ylsulfanylmethyl)quinolin-2-yl]hydrazine?
The InChIKey is GJAHGIPPMDDSSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4S2/c14-17-12-10(8-19-13-15-5-6-18-13)7-9-3-1-2-4-11(9)16-12/h1-7H,8,14H2,(H,16,17).
What are the key properties of [3-(1,3-thiazol-2-ylsulfanylmethyl)quinolin-2-yl]hydrazine?
[3-(1,3-thiazol-2-ylsulfanylmethyl)quinolin-2-yl]hydrazine has a molecular weight of 288.40 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1,3-thiazol-2-ylsulfanylmethyl)quinolin-2-yl]hydrazine is sourced from PubChem (CID 62252880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).