N-[(2-oxochromen-6-yl)carbamothioyl]furan-2-carboxamide

C15H10N2O4S — CID 940607

IUPACN-[(2-oxochromen-6-yl)carbamothioyl]furan-2-carboxamide
SMILESO=C(NC(=S)Nc1ccc2oc(=O)ccc2c1)c1ccco1
InChIInChI=1S/C15H10N2O4S/c18-13-6-3-9-8-10(4-5-11(9)21-13)16-15(22)17-14(19)12-2-1-7-20-12/h1-8H,(H2,16,17,19,22)
InChIKeyJFPQEWHDJJTEEO-UHFFFAOYSA-N
MW314.32 g/mol
LogP2.51
Rot. Bonds2

About N-[(2-oxochromen-6-yl)carbamothioyl]furan-2-carboxamide

N-[(2-oxochromen-6-yl)carbamothioyl]furan-2-carboxamide (PubChem CID 940607) has the molecular formula C15H10N2O4S and a molecular weight of 314.32 g/mol. Its IUPAC name is N-[(2-oxochromen-6-yl)carbamothioyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(2-oxochromen-6-yl)carbamothioyl]furan-2-carboxamide
PubChem CID940607
Molecular FormulaC15H10N2O4S
Molecular Weight314.32 g/mol
Exact Mass314.04
IUPAC NameN-[(2-oxochromen-6-yl)carbamothioyl]furan-2-carboxamide
SMILESO=C(NC(=S)Nc1ccc2oc(=O)ccc2c1)c1ccco1
InChIInChI=1S/C15H10N2O4S/c18-13-6-3-9-8-10(4-5-11(9)21-13)16-15(22)17-14(19)12-2-1-7-20-12/h1-8H,(H2,16,17,19,22)
InChIKeyJFPQEWHDJJTEEO-UHFFFAOYSA-N
XLogP2.51
TPSA84.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2-oxochromen-6-yl)carbamothioyl]furan-2-carboxamide?
The IUPAC name of N-[(2-oxochromen-6-yl)carbamothioyl]furan-2-carboxamide (CID 940607) is N-[(2-oxochromen-6-yl)carbamothioyl]furan-2-carboxamide.
What is the SMILES notation for N-[(2-oxochromen-6-yl)carbamothioyl]furan-2-carboxamide?
The canonical SMILES for N-[(2-oxochromen-6-yl)carbamothioyl]furan-2-carboxamide is O=C(NC(=S)Nc1ccc2oc(=O)ccc2c1)c1ccco1.
What is the InChIKey of N-[(2-oxochromen-6-yl)carbamothioyl]furan-2-carboxamide?
The InChIKey is JFPQEWHDJJTEEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O4S/c18-13-6-3-9-8-10(4-5-11(9)21-13)16-15(22)17-14(19)12-2-1-7-20-12/h1-8H,(H2,16,17,19,22).
What are the key properties of N-[(2-oxochromen-6-yl)carbamothioyl]furan-2-carboxamide?
N-[(2-oxochromen-6-yl)carbamothioyl]furan-2-carboxamide has a molecular weight of 314.32 g/mol, XLogP of 2.51, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-oxochromen-6-yl)carbamothioyl]furan-2-carboxamide is sourced from PubChem (CID 940607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).