N-(furan-2-ylmethylcarbamothioyl)cyclopropanecarboxamide

C10H12N2O2S — CID 1243044

IUPACN-(furan-2-ylmethylcarbamothioyl)cyclopropanecarboxamide
SMILESO=C(NC(=S)NCc1ccco1)C1CC1
InChIInChI=1S/C10H12N2O2S/c13-9(7-3-4-7)12-10(15)11-6-8-2-1-5-14-8/h1-2,5,7H,3-4,6H2,(H2,11,12,13,15)
InChIKeyDTAJBCLHJJCDSX-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.18
Rot. Bonds3

About N-(furan-2-ylmethylcarbamothioyl)cyclopropanecarboxamide

N-(furan-2-ylmethylcarbamothioyl)cyclopropanecarboxamide (PubChem CID 1243044) has the molecular formula C10H12N2O2S and a molecular weight of 224.28 g/mol. Its IUPAC name is N-(furan-2-ylmethylcarbamothioyl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethylcarbamothioyl)cyclopropanecarboxamide
PubChem CID1243044
Molecular FormulaC10H12N2O2S
Molecular Weight224.28 g/mol
Exact Mass224.06
IUPAC NameN-(furan-2-ylmethylcarbamothioyl)cyclopropanecarboxamide
SMILESO=C(NC(=S)NCc1ccco1)C1CC1
InChIInChI=1S/C10H12N2O2S/c13-9(7-3-4-7)12-10(15)11-6-8-2-1-5-14-8/h1-2,5,7H,3-4,6H2,(H2,11,12,13,15)
InChIKeyDTAJBCLHJJCDSX-UHFFFAOYSA-N
XLogP1.18
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(furan-2-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63789935
4-N-cyclopropyl-1-N-(furan-2-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109144668
N-(furan-2-ylmethylcarbamothioyl)furan-2-carboxamide
CID 702076
trans-(1S,3S)-1-N,3-N-bis(furan-2-ylmethyl)cyclohexane-1,3-dicarboxamide
CID 94798892
N-(furan-2-ylmethylcarbamothioyl)-2,2-dimethylpropanamide
CID 17100622
4-N-(furan-2-ylmethyl)-1-N-[(4-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109147749
N-[[4-(furan-2-ylmethylsulfamoyl)phenyl]carbamothioyl]cyclohexanecarboxamide
CID 17171044
trans-(1R,3R)-3-(furan-2-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 124510443
N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]cyclohexanecarboxamide
CID 35334881
N-[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]cyclohexanecarboxamide
CID 94216559
4-N-(2,6-difluorophenyl)-1-N-(furan-2-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109147874
4-N-(furan-2-ylmethyl)-1-N-(3-phenylpropyl)cyclohexane-1,4-dicarboxamide
CID 109147782

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethylcarbamothioyl)cyclopropanecarboxamide?
The IUPAC name of N-(furan-2-ylmethylcarbamothioyl)cyclopropanecarboxamide (CID 1243044) is N-(furan-2-ylmethylcarbamothioyl)cyclopropanecarboxamide.
What is the SMILES notation for N-(furan-2-ylmethylcarbamothioyl)cyclopropanecarboxamide?
The canonical SMILES for N-(furan-2-ylmethylcarbamothioyl)cyclopropanecarboxamide is O=C(NC(=S)NCc1ccco1)C1CC1.
What is the InChIKey of N-(furan-2-ylmethylcarbamothioyl)cyclopropanecarboxamide?
The InChIKey is DTAJBCLHJJCDSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2S/c13-9(7-3-4-7)12-10(15)11-6-8-2-1-5-14-8/h1-2,5,7H,3-4,6H2,(H2,11,12,13,15).
What are the key properties of N-(furan-2-ylmethylcarbamothioyl)cyclopropanecarboxamide?
N-(furan-2-ylmethylcarbamothioyl)cyclopropanecarboxamide has a molecular weight of 224.28 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethylcarbamothioyl)cyclopropanecarboxamide is sourced from PubChem (CID 1243044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).