N-[di(propan-2-yl)carbamothioyl]furan-2-carboxamide

C12H18N2O2S — CID 19187806

IUPACN-[di(propan-2-yl)carbamothioyl]furan-2-carboxamide
SMILESCC(C)N(C(=S)NC(=O)c1ccco1)C(C)C
InChIInChI=1S/C12H18N2O2S/c1-8(2)14(9(3)4)12(17)13-11(15)10-6-5-7-16-10/h5-9H,1-4H3,(H,13,15,17)
InChIKeySVUFHZSVNSDRNT-UHFFFAOYSA-N
MW254.35 g/mol
LogP2.41
Rot. Bonds3

About N-[di(propan-2-yl)carbamothioyl]furan-2-carboxamide

N-[di(propan-2-yl)carbamothioyl]furan-2-carboxamide (PubChem CID 19187806) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is N-[di(propan-2-yl)carbamothioyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[di(propan-2-yl)carbamothioyl]furan-2-carboxamide
PubChem CID19187806
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC NameN-[di(propan-2-yl)carbamothioyl]furan-2-carboxamide
SMILESCC(C)N(C(=S)NC(=O)c1ccco1)C(C)C
InChIInChI=1S/C12H18N2O2S/c1-8(2)14(9(3)4)12(17)13-11(15)10-6-5-7-16-10/h5-9H,1-4H3,(H,13,15,17)
InChIKeySVUFHZSVNSDRNT-UHFFFAOYSA-N
XLogP2.41
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[benzyl(methyl)carbamothioyl]furan-2-carboxamide
CID 923050
N-[ethyl(2-methylprop-2-enyl)carbamothioyl]furan-2-carboxamide
CID 3695601
N-[2-[1-hydroxypropan-2-yl(methyl)amino]acetyl]furan-2-carboxamide
CID 104554025
N-(formamidocarbamothioyl)furan-2-carboxamide
CID 145074746
N-[[(2S)-4-phenylbutan-2-yl]carbamothioyl]furan-2-carboxamide
CID 2429752
N-(2-hydroxy-2-methylpropanoyl)furan-2-carboxamide
CID 174420359
(2S)-2-(furan-2-carbonylamino)propanoic acid
CID 792932
N-[(2S)-2-methyl-2,3-dihydroindole-1-carbothioyl]furan-2-carboxamide
CID 2374481
N-[1-(diethylamino)ethylidenecarbamothioyl]furan-2-carboxamide
CID 91325011
N-(ethylcarbamoyl)furan-2-carboxamide
CID 131178690
N-[(2-iodophenyl)carbamothioyl]furan-2-carboxamide
CID 1125144
N-[methyl(phenyl)carbamoyl]furan-2-carboxamide
CID 110866312

Frequently Asked Questions

What is the IUPAC name of N-[di(propan-2-yl)carbamothioyl]furan-2-carboxamide?
The IUPAC name of N-[di(propan-2-yl)carbamothioyl]furan-2-carboxamide (CID 19187806) is N-[di(propan-2-yl)carbamothioyl]furan-2-carboxamide.
What is the SMILES notation for N-[di(propan-2-yl)carbamothioyl]furan-2-carboxamide?
The canonical SMILES for N-[di(propan-2-yl)carbamothioyl]furan-2-carboxamide is CC(C)N(C(=S)NC(=O)c1ccco1)C(C)C.
What is the InChIKey of N-[di(propan-2-yl)carbamothioyl]furan-2-carboxamide?
The InChIKey is SVUFHZSVNSDRNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-8(2)14(9(3)4)12(17)13-11(15)10-6-5-7-16-10/h5-9H,1-4H3,(H,13,15,17).
What are the key properties of N-[di(propan-2-yl)carbamothioyl]furan-2-carboxamide?
N-[di(propan-2-yl)carbamothioyl]furan-2-carboxamide has a molecular weight of 254.35 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[di(propan-2-yl)carbamothioyl]furan-2-carboxamide is sourced from PubChem (CID 19187806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).