N-(quinolin-5-ylcarbamothioyl)furan-2-carboxamide

C15H11N3O2S — CID 2963793

IUPACN-(quinolin-5-ylcarbamothioyl)furan-2-carboxamide
SMILESO=C(NC(=S)Nc1cccc2ncccc12)c1ccco1
InChIInChI=1S/C15H11N3O2S/c19-14(13-7-3-9-20-13)18-15(21)17-12-6-1-5-11-10(12)4-2-8-16-11/h1-9H,(H2,17,18,19,21)
InChIKeyJAULVJVZJZFEGZ-UHFFFAOYSA-N
MW297.34 g/mol
LogP2.95
Rot. Bonds2

About N-(quinolin-5-ylcarbamothioyl)furan-2-carboxamide

N-(quinolin-5-ylcarbamothioyl)furan-2-carboxamide (PubChem CID 2963793) has the molecular formula C15H11N3O2S and a molecular weight of 297.34 g/mol. Its IUPAC name is N-(quinolin-5-ylcarbamothioyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(quinolin-5-ylcarbamothioyl)furan-2-carboxamide
PubChem CID2963793
Molecular FormulaC15H11N3O2S
Molecular Weight297.34 g/mol
Exact Mass297.06
IUPAC NameN-(quinolin-5-ylcarbamothioyl)furan-2-carboxamide
SMILESO=C(NC(=S)Nc1cccc2ncccc12)c1ccco1
InChIInChI=1S/C15H11N3O2S/c19-14(13-7-3-9-20-13)18-15(21)17-12-6-1-5-11-10(12)4-2-8-16-11/h1-9H,(H2,17,18,19,21)
InChIKeyJAULVJVZJZFEGZ-UHFFFAOYSA-N
XLogP2.95
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(quinolin-5-ylcarbamothioyl)furan-2-carboxamide?
The IUPAC name of N-(quinolin-5-ylcarbamothioyl)furan-2-carboxamide (CID 2963793) is N-(quinolin-5-ylcarbamothioyl)furan-2-carboxamide.
What is the SMILES notation for N-(quinolin-5-ylcarbamothioyl)furan-2-carboxamide?
The canonical SMILES for N-(quinolin-5-ylcarbamothioyl)furan-2-carboxamide is O=C(NC(=S)Nc1cccc2ncccc12)c1ccco1.
What is the InChIKey of N-(quinolin-5-ylcarbamothioyl)furan-2-carboxamide?
The InChIKey is JAULVJVZJZFEGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O2S/c19-14(13-7-3-9-20-13)18-15(21)17-12-6-1-5-11-10(12)4-2-8-16-11/h1-9H,(H2,17,18,19,21).
What are the key properties of N-(quinolin-5-ylcarbamothioyl)furan-2-carboxamide?
N-(quinolin-5-ylcarbamothioyl)furan-2-carboxamide has a molecular weight of 297.34 g/mol, XLogP of 2.95, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(quinolin-5-ylcarbamothioyl)furan-2-carboxamide is sourced from PubChem (CID 2963793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).