N-(2-pyridin-2-ylethylcarbamothioyl)furan-2-carboxamide

C13H13N3O2S — CID 2343908

IUPACN-(2-pyridin-2-ylethylcarbamothioyl)furan-2-carboxamide
SMILESO=C(NC(=S)NCCc1ccccn1)c1ccco1
InChIInChI=1S/C13H13N3O2S/c17-12(11-5-3-9-18-11)16-13(19)15-8-6-10-4-1-2-7-14-10/h1-5,7,9H,6,8H2,(H2,15,16,17,19)
InChIKeyYPXZJSXSTZYGAV-UHFFFAOYSA-N
MW275.33 g/mol
LogP1.52
Rot. Bonds4

About N-(2-pyridin-2-ylethylcarbamothioyl)furan-2-carboxamide

N-(2-pyridin-2-ylethylcarbamothioyl)furan-2-carboxamide (PubChem CID 2343908) has the molecular formula C13H13N3O2S and a molecular weight of 275.33 g/mol. Its IUPAC name is N-(2-pyridin-2-ylethylcarbamothioyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(2-pyridin-2-ylethylcarbamothioyl)furan-2-carboxamide
PubChem CID2343908
Molecular FormulaC13H13N3O2S
Molecular Weight275.33 g/mol
Exact Mass275.07
IUPAC NameN-(2-pyridin-2-ylethylcarbamothioyl)furan-2-carboxamide
SMILESO=C(NC(=S)NCCc1ccccn1)c1ccco1
InChIInChI=1S/C13H13N3O2S/c17-12(11-5-3-9-18-11)16-13(19)15-8-6-10-4-1-2-7-14-10/h1-5,7,9H,6,8H2,(H2,15,16,17,19)
InChIKeyYPXZJSXSTZYGAV-UHFFFAOYSA-N
XLogP1.52
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 51.52
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-(2-pyridin-2-ylethylcarbamothioyl)furan-2-carboxamide?
The IUPAC name of N-(2-pyridin-2-ylethylcarbamothioyl)furan-2-carboxamide (CID 2343908) is N-(2-pyridin-2-ylethylcarbamothioyl)furan-2-carboxamide.
What is the SMILES notation for N-(2-pyridin-2-ylethylcarbamothioyl)furan-2-carboxamide?
The canonical SMILES for N-(2-pyridin-2-ylethylcarbamothioyl)furan-2-carboxamide is O=C(NC(=S)NCCc1ccccn1)c1ccco1.
What is the InChIKey of N-(2-pyridin-2-ylethylcarbamothioyl)furan-2-carboxamide?
The InChIKey is YPXZJSXSTZYGAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2S/c17-12(11-5-3-9-18-11)16-13(19)15-8-6-10-4-1-2-7-14-10/h1-5,7,9H,6,8H2,(H2,15,16,17,19).
What are the key properties of N-(2-pyridin-2-ylethylcarbamothioyl)furan-2-carboxamide?
N-(2-pyridin-2-ylethylcarbamothioyl)furan-2-carboxamide has a molecular weight of 275.33 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyridin-2-ylethylcarbamothioyl)furan-2-carboxamide is sourced from PubChem (CID 2343908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).