N-[ethyl(2-methylprop-2-enyl)carbamothioyl]furan-2-carboxamide

C12H16N2O2S — CID 3695601

IUPACN-[ethyl(2-methylprop-2-enyl)carbamothioyl]furan-2-carboxamide
SMILESC=C(C)CN(CC)C(=S)NC(=O)c1ccco1
InChIInChI=1S/C12H16N2O2S/c1-4-14(8-9(2)3)12(17)13-11(15)10-6-5-7-16-10/h5-7H,2,4,8H2,1,3H3,(H,13,15,17)
InChIKeyGBMVBAYDPYABAZ-UHFFFAOYSA-N
MW252.34 g/mol
LogP2.19
Rot. Bonds4

About N-[ethyl(2-methylprop-2-enyl)carbamothioyl]furan-2-carboxamide

N-[ethyl(2-methylprop-2-enyl)carbamothioyl]furan-2-carboxamide (PubChem CID 3695601) has the molecular formula C12H16N2O2S and a molecular weight of 252.34 g/mol. Its IUPAC name is N-[ethyl(2-methylprop-2-enyl)carbamothioyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[ethyl(2-methylprop-2-enyl)carbamothioyl]furan-2-carboxamide
PubChem CID3695601
Molecular FormulaC12H16N2O2S
Molecular Weight252.34 g/mol
Exact Mass252.09
IUPAC NameN-[ethyl(2-methylprop-2-enyl)carbamothioyl]furan-2-carboxamide
SMILESC=C(C)CN(CC)C(=S)NC(=O)c1ccco1
InChIInChI=1S/C12H16N2O2S/c1-4-14(8-9(2)3)12(17)13-11(15)10-6-5-7-16-10/h5-7H,2,4,8H2,1,3H3,(H,13,15,17)
InChIKeyGBMVBAYDPYABAZ-UHFFFAOYSA-N
XLogP2.19
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 52.19
H-Bond Donors ≤ 51
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-[1-(diethylamino)ethylidenecarbamothioyl]furan-2-carboxamide
CID 91325011
N-[di(propan-2-yl)carbamothioyl]furan-2-carboxamide
CID 19187806
N-[benzyl(methyl)carbamothioyl]furan-2-carboxamide
CID 923050
N-methyl-N-(2-methylprop-2-enyl)furan-2-carboxamide
CID 115968439
N-(ethylcarbamoyl)furan-2-carboxamide
CID 131178690
N-(prop-2-enylcarbamothioyl)furan-2-carboxamide
CID 2294785
N-(dodecylcarbamothioyl)furan-2-carboxamide
CID 10958704
N-(diethylcarbamothioyl)-3-(furan-2-yl)prop-2-enamide
CID 2830723
2-[ethyl-[4-(furan-2-carbonylamino)butanoyl]amino]acetic acid
CID 61022719
N-[2-[1-hydroxypropan-2-yl(methyl)amino]acetyl]furan-2-carboxamide
CID 104554025
S-[2-(furan-2-carbonylamino)-2-oxoethyl] ethanethioate
CID 23347862
N-(formamidocarbamothioyl)furan-2-carboxamide
CID 145074746

Frequently Asked Questions

What is the IUPAC name of N-[ethyl(2-methylprop-2-enyl)carbamothioyl]furan-2-carboxamide?
The IUPAC name of N-[ethyl(2-methylprop-2-enyl)carbamothioyl]furan-2-carboxamide (CID 3695601) is N-[ethyl(2-methylprop-2-enyl)carbamothioyl]furan-2-carboxamide.
What is the SMILES notation for N-[ethyl(2-methylprop-2-enyl)carbamothioyl]furan-2-carboxamide?
The canonical SMILES for N-[ethyl(2-methylprop-2-enyl)carbamothioyl]furan-2-carboxamide is C=C(C)CN(CC)C(=S)NC(=O)c1ccco1.
What is the InChIKey of N-[ethyl(2-methylprop-2-enyl)carbamothioyl]furan-2-carboxamide?
The InChIKey is GBMVBAYDPYABAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S/c1-4-14(8-9(2)3)12(17)13-11(15)10-6-5-7-16-10/h5-7H,2,4,8H2,1,3H3,(H,13,15,17).
What are the key properties of N-[ethyl(2-methylprop-2-enyl)carbamothioyl]furan-2-carboxamide?
N-[ethyl(2-methylprop-2-enyl)carbamothioyl]furan-2-carboxamide has a molecular weight of 252.34 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[ethyl(2-methylprop-2-enyl)carbamothioyl]furan-2-carboxamide is sourced from PubChem (CID 3695601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).