N-(prop-2-enylcarbamothioyl)furan-2-carboxamide

C9H10N2O2S — CID 2294785

IUPACN-(prop-2-enylcarbamothioyl)furan-2-carboxamide
SMILESC=CCNC(=S)NC(=O)c1ccco1
InChIInChI=1S/C9H10N2O2S/c1-2-5-10-9(14)11-8(12)7-4-3-6-13-7/h2-4,6H,1,5H2,(H2,10,11,12,14)
InChIKeyFDNUZLDUHDGEKV-UHFFFAOYSA-N
MW210.26 g/mol
LogP1.07
Rot. Bonds3

About N-(prop-2-enylcarbamothioyl)furan-2-carboxamide

N-(prop-2-enylcarbamothioyl)furan-2-carboxamide (PubChem CID 2294785) has the molecular formula C9H10N2O2S and a molecular weight of 210.26 g/mol. Its IUPAC name is N-(prop-2-enylcarbamothioyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(prop-2-enylcarbamothioyl)furan-2-carboxamide
PubChem CID2294785
Molecular FormulaC9H10N2O2S
Molecular Weight210.26 g/mol
Exact Mass210.05
IUPAC NameN-(prop-2-enylcarbamothioyl)furan-2-carboxamide
SMILESC=CCNC(=S)NC(=O)c1ccco1
InChIInChI=1S/C9H10N2O2S/c1-2-5-10-9(14)11-8(12)7-4-3-6-13-7/h2-4,6H,1,5H2,(H2,10,11,12,14)
InChIKeyFDNUZLDUHDGEKV-UHFFFAOYSA-N
XLogP1.07
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(furan-2-ylmethylcarbamothioyl)furan-2-carboxamide
CID 702076
N-[3-oxo-1-phenyl-3-(prop-2-enylamino)prop-1-en-2-yl]furan-2-carboxamide
CID 2885271
N-(dodecylcarbamothioyl)furan-2-carboxamide
CID 10958704
N-[3-methyl-1-oxo-1-[2-(prop-2-enylcarbamothioyl)hydrazinyl]butan-2-yl]furan-2-carboxamide
CID 102556212
N-[(2-chlorophenyl)methylcarbamothioyl]furan-2-carboxamide
CID 17194361
N-(formamidocarbamothioyl)furan-2-carboxamide
CID 145074746
4-bromo-N-(prop-2-enylcarbamothioyl)benzamide
CID 54792076
4-(furan-2-carbonylcarbamothioylamino)benzoate
CID 6945375
N-[(5-fluoro-2-methylphenyl)methylcarbamothioyl]furan-2-carboxamide
CID 3535012
N-[[4-(3-phenylpropanoylamino)phenyl]carbamothioyl]furan-2-carboxamide
CID 17233679
N-(ethylcarbamoyl)furan-2-carboxamide
CID 131178690
3,5-dichloro-N-(prop-2-enylcarbamothioyl)benzamide
CID 17133810

Frequently Asked Questions

What is the IUPAC name of N-(prop-2-enylcarbamothioyl)furan-2-carboxamide?
The IUPAC name of N-(prop-2-enylcarbamothioyl)furan-2-carboxamide (CID 2294785) is N-(prop-2-enylcarbamothioyl)furan-2-carboxamide.
What is the SMILES notation for N-(prop-2-enylcarbamothioyl)furan-2-carboxamide?
The canonical SMILES for N-(prop-2-enylcarbamothioyl)furan-2-carboxamide is C=CCNC(=S)NC(=O)c1ccco1.
What is the InChIKey of N-(prop-2-enylcarbamothioyl)furan-2-carboxamide?
The InChIKey is FDNUZLDUHDGEKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2S/c1-2-5-10-9(14)11-8(12)7-4-3-6-13-7/h2-4,6H,1,5H2,(H2,10,11,12,14).
What are the key properties of N-(prop-2-enylcarbamothioyl)furan-2-carboxamide?
N-(prop-2-enylcarbamothioyl)furan-2-carboxamide has a molecular weight of 210.26 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(prop-2-enylcarbamothioyl)furan-2-carboxamide is sourced from PubChem (CID 2294785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).