[(5-quinolin-8-ylsulfanylfuran-2-yl)methylideneamino]thiourea

C15H12N4OS2 — CID 3119183

IUPAC[(5-quinolin-8-ylsulfanylfuran-2-yl)methylideneamino]thiourea
SMILESNC(=S)NN=Cc1ccc(Sc2cccc3cccnc23)o1
InChIInChI=1S/C15H12N4OS2/c16-15(21)19-18-9-11-6-7-13(20-11)22-12-5-1-3-10-4-2-8-17-14(10)12/h1-9H,(H3,16,19,21)
InChIKeyHYBMPBLDCBZMKL-UHFFFAOYSA-N
MW328.42 g/mol
LogP3.15
Rot. Bonds4

About [(5-quinolin-8-ylsulfanylfuran-2-yl)methylideneamino]thiourea

[(5-quinolin-8-ylsulfanylfuran-2-yl)methylideneamino]thiourea (PubChem CID 3119183) has the molecular formula C15H12N4OS2 and a molecular weight of 328.42 g/mol. Its IUPAC name is [(5-quinolin-8-ylsulfanylfuran-2-yl)methylideneamino]thiourea.

Molecular Properties

Compound Name[(5-quinolin-8-ylsulfanylfuran-2-yl)methylideneamino]thiourea
PubChem CID3119183
Molecular FormulaC15H12N4OS2
Molecular Weight328.42 g/mol
Exact Mass328.05
IUPAC Name[(5-quinolin-8-ylsulfanylfuran-2-yl)methylideneamino]thiourea
SMILESNC(=S)NN=Cc1ccc(Sc2cccc3cccnc23)o1
InChIInChI=1S/C15H12N4OS2/c16-15(21)19-18-9-11-6-7-13(20-11)22-12-5-1-3-10-4-2-8-17-14(10)12/h1-9H,(H3,16,19,21)
InChIKeyHYBMPBLDCBZMKL-UHFFFAOYSA-N
XLogP3.15
TPSA76.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(5-quinolin-8-ylsulfanylfuran-2-yl)methylideneamino]thiourea?
The IUPAC name of [(5-quinolin-8-ylsulfanylfuran-2-yl)methylideneamino]thiourea (CID 3119183) is [(5-quinolin-8-ylsulfanylfuran-2-yl)methylideneamino]thiourea.
What is the SMILES notation for [(5-quinolin-8-ylsulfanylfuran-2-yl)methylideneamino]thiourea?
The canonical SMILES for [(5-quinolin-8-ylsulfanylfuran-2-yl)methylideneamino]thiourea is NC(=S)NN=Cc1ccc(Sc2cccc3cccnc23)o1.
What is the InChIKey of [(5-quinolin-8-ylsulfanylfuran-2-yl)methylideneamino]thiourea?
The InChIKey is HYBMPBLDCBZMKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4OS2/c16-15(21)19-18-9-11-6-7-13(20-11)22-12-5-1-3-10-4-2-8-17-14(10)12/h1-9H,(H3,16,19,21).
What are the key properties of [(5-quinolin-8-ylsulfanylfuran-2-yl)methylideneamino]thiourea?
[(5-quinolin-8-ylsulfanylfuran-2-yl)methylideneamino]thiourea has a molecular weight of 328.42 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(5-quinolin-8-ylsulfanylfuran-2-yl)methylideneamino]thiourea is sourced from PubChem (CID 3119183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).