N-(furan-2-ylmethylcarbamothioyl)furan-2-carboxamide

C11H10N2O3S — CID 702076

IUPACN-(furan-2-ylmethylcarbamothioyl)furan-2-carboxamide
SMILESO=C(NC(=S)NCc1ccco1)c1ccco1
InChIInChI=1S/C11H10N2O3S/c14-10(9-4-2-6-16-9)13-11(17)12-7-8-3-1-5-15-8/h1-6H,7H2,(H2,12,13,14,17)
InChIKeyKLCUTYGLJDBNKU-UHFFFAOYSA-N
MW250.28 g/mol
LogP1.68
Rot. Bonds3

About N-(furan-2-ylmethylcarbamothioyl)furan-2-carboxamide

N-(furan-2-ylmethylcarbamothioyl)furan-2-carboxamide (PubChem CID 702076) has the molecular formula C11H10N2O3S and a molecular weight of 250.28 g/mol. Its IUPAC name is N-(furan-2-ylmethylcarbamothioyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethylcarbamothioyl)furan-2-carboxamide
PubChem CID702076
Molecular FormulaC11H10N2O3S
Molecular Weight250.28 g/mol
Exact Mass250.04
IUPAC NameN-(furan-2-ylmethylcarbamothioyl)furan-2-carboxamide
SMILESO=C(NC(=S)NCc1ccco1)c1ccco1
InChIInChI=1S/C11H10N2O3S/c14-10(9-4-2-6-16-9)13-11(17)12-7-8-3-1-5-15-8/h1-6H,7H2,(H2,12,13,14,17)
InChIKeyKLCUTYGLJDBNKU-UHFFFAOYSA-N
XLogP1.68
TPSA67.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(furan-2-ylmethylcarbamothioyl)-1-benzofuran-2-carboxamide
CID 17100606
N-[(2-chlorophenyl)methylcarbamothioyl]furan-2-carboxamide
CID 17194361
N-(prop-2-enylcarbamothioyl)furan-2-carboxamide
CID 2294785
N-[[5-(4-bromophenyl)furan-2-yl]methylcarbamothioyl]furan-2-carboxamide
CID 9184943
N-(furan-2-ylmethylcarbamothioyl)-2,2-dimethylpropanamide
CID 17100622
N-(furan-2-ylmethylcarbamothioyl)cyclopropanecarboxamide
CID 1243044
N-(dodecylcarbamothioyl)furan-2-carboxamide
CID 10958704
N-[[4-(furan-2-ylmethylamino)-4-oxobutan-2-ylidene]amino]furan-2-carboxamide
CID 3101336
2,3,5,6-tetrafluoro-N-(furan-2-ylmethylcarbamothioyl)-4-methoxybenzamide
CID 17100625
N-(furan-2-ylmethylcarbamothioyl)-3,4,5-trimethoxybenzamide
CID 1248224
N-[(5-fluoro-2-methylphenyl)methylcarbamothioyl]furan-2-carboxamide
CID 3535012
N-[(Z)-3-(furan-2-ylmethylamino)-3-oxo-1-phenylprop-1-en-2-yl]furan-2-carboxamide
CID 2270670

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethylcarbamothioyl)furan-2-carboxamide?
The IUPAC name of N-(furan-2-ylmethylcarbamothioyl)furan-2-carboxamide (CID 702076) is N-(furan-2-ylmethylcarbamothioyl)furan-2-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethylcarbamothioyl)furan-2-carboxamide?
The canonical SMILES for N-(furan-2-ylmethylcarbamothioyl)furan-2-carboxamide is O=C(NC(=S)NCc1ccco1)c1ccco1.
What is the InChIKey of N-(furan-2-ylmethylcarbamothioyl)furan-2-carboxamide?
The InChIKey is KLCUTYGLJDBNKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3S/c14-10(9-4-2-6-16-9)13-11(17)12-7-8-3-1-5-15-8/h1-6H,7H2,(H2,12,13,14,17).
What are the key properties of N-(furan-2-ylmethylcarbamothioyl)furan-2-carboxamide?
N-(furan-2-ylmethylcarbamothioyl)furan-2-carboxamide has a molecular weight of 250.28 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethylcarbamothioyl)furan-2-carboxamide is sourced from PubChem (CID 702076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).