N-[1-(diethylamino)ethylidenecarbamothioyl]furan-2-carboxamide

C12H17N3O2S — CID 91325011

IUPACN-[1-(diethylamino)ethylidenecarbamothioyl]furan-2-carboxamide
SMILESCCN(CC)C(C)=NC(=S)NC(=O)c1ccco1
InChIInChI=1S/C12H17N3O2S/c1-4-15(5-2)9(3)13-12(18)14-11(16)10-7-6-8-17-10/h6-8H,4-5H2,1-3H3,(H,14,16,18)
InChIKeyQMHFHUPRKYCKCT-UHFFFAOYSA-N
MW267.35 g/mol
LogP2.05
Rot. Bonds3

About N-[1-(diethylamino)ethylidenecarbamothioyl]furan-2-carboxamide

N-[1-(diethylamino)ethylidenecarbamothioyl]furan-2-carboxamide (PubChem CID 91325011) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is N-[1-(diethylamino)ethylidenecarbamothioyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-(diethylamino)ethylidenecarbamothioyl]furan-2-carboxamide
PubChem CID91325011
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC NameN-[1-(diethylamino)ethylidenecarbamothioyl]furan-2-carboxamide
SMILESCCN(CC)C(C)=NC(=S)NC(=O)c1ccco1
InChIInChI=1S/C12H17N3O2S/c1-4-15(5-2)9(3)13-12(18)14-11(16)10-7-6-8-17-10/h6-8H,4-5H2,1-3H3,(H,14,16,18)
InChIKeyQMHFHUPRKYCKCT-UHFFFAOYSA-N
XLogP2.05
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-1-(diethylamino)ethylidenecarbamothioyl]benzamide
CID 87663130
N-[ethyl(2-methylprop-2-enyl)carbamothioyl]furan-2-carboxamide
CID 3695601
N-(ethylcarbamoyl)furan-2-carboxamide
CID 131178690
N-[di(propan-2-yl)carbamothioyl]furan-2-carboxamide
CID 19187806
N-[benzyl(methyl)carbamothioyl]furan-2-carboxamide
CID 923050
N-[2-[ethyl(3-hydroxypropyl)amino]-2-oxoethyl]furan-2-carboxamide
CID 104709123
N-(dodecylcarbamothioyl)furan-2-carboxamide
CID 10958704
N-[(E)-1-(furan-2-yl)ethylideneamino]furan-2-carboxamide
CID 5339845
N-[[diethylamino(phenyl)methylidene]carbamothioyl]benzamide
CID 90791019
S-[2-(furan-2-carbonylamino)-2-oxoethyl] ethanethioate
CID 23347862
N-[(4-tetradecylphenyl)carbamothioyl]furan-2-carboxamide
CID 11732936
N-[1-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 4884407

Frequently Asked Questions

What is the IUPAC name of N-[1-(diethylamino)ethylidenecarbamothioyl]furan-2-carboxamide?
The IUPAC name of N-[1-(diethylamino)ethylidenecarbamothioyl]furan-2-carboxamide (CID 91325011) is N-[1-(diethylamino)ethylidenecarbamothioyl]furan-2-carboxamide.
What is the SMILES notation for N-[1-(diethylamino)ethylidenecarbamothioyl]furan-2-carboxamide?
The canonical SMILES for N-[1-(diethylamino)ethylidenecarbamothioyl]furan-2-carboxamide is CCN(CC)C(C)=NC(=S)NC(=O)c1ccco1.
What is the InChIKey of N-[1-(diethylamino)ethylidenecarbamothioyl]furan-2-carboxamide?
The InChIKey is QMHFHUPRKYCKCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S/c1-4-15(5-2)9(3)13-12(18)14-11(16)10-7-6-8-17-10/h6-8H,4-5H2,1-3H3,(H,14,16,18).
What are the key properties of N-[1-(diethylamino)ethylidenecarbamothioyl]furan-2-carboxamide?
N-[1-(diethylamino)ethylidenecarbamothioyl]furan-2-carboxamide has a molecular weight of 267.35 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(diethylamino)ethylidenecarbamothioyl]furan-2-carboxamide is sourced from PubChem (CID 91325011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).