N-(3-carbamothioyl-4-fluorophenyl)-2-methylfuran-3-carboxamide

C13H11FN2O2S — CID 62318069

IUPACN-(3-carbamothioyl-4-fluorophenyl)-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)Nc1ccc(F)c(C(N)=S)c1
InChIInChI=1S/C13H11FN2O2S/c1-7-9(4-5-18-7)13(17)16-8-2-3-11(14)10(6-8)12(15)19/h2-6H,1H3,(H2,15,19)(H,16,17)
InChIKeySAOYXIAZHFIAFF-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.61
Rot. Bonds3

About N-(3-carbamothioyl-4-fluorophenyl)-2-methylfuran-3-carboxamide

N-(3-carbamothioyl-4-fluorophenyl)-2-methylfuran-3-carboxamide (PubChem CID 62318069) has the molecular formula C13H11FN2O2S and a molecular weight of 278.31 g/mol. Its IUPAC name is N-(3-carbamothioyl-4-fluorophenyl)-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(3-carbamothioyl-4-fluorophenyl)-2-methylfuran-3-carboxamide
PubChem CID62318069
Molecular FormulaC13H11FN2O2S
Molecular Weight278.31 g/mol
Exact Mass278.05
IUPAC NameN-(3-carbamothioyl-4-fluorophenyl)-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)Nc1ccc(F)c(C(N)=S)c1
InChIInChI=1S/C13H11FN2O2S/c1-7-9(4-5-18-7)13(17)16-8-2-3-11(14)10(6-8)12(15)19/h2-6H,1H3,(H2,15,19)(H,16,17)
InChIKeySAOYXIAZHFIAFF-UHFFFAOYSA-N
XLogP2.61
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.61
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

N-(2-carbamothioyl-5-chlorophenyl)-2-methylfuran-3-carboxamide
CID 64915208
N-(3-carbamothioyl-4-fluorophenyl)-2,4-difluorobenzamide
CID 62317895
(E)-3-[2-fluoro-5-[(2-methylfuran-3-carbonyl)amino]phenyl]prop-2-enoic acid
CID 104781347
N-(3-carbamothioyl-4-fluorophenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 55057681
N-(3-carbamothioyl-4-fluorophenyl)-5-ethylthiophene-2-carboxamide
CID 62317186
2-bromo-N-(3-carbamothioyl-4-fluorophenyl)benzamide
CID 62318065
N-(3-carbamothioyl-4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 55057585
N-(3-carbamothioyl-4-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 63022696
N-(4-iodophenyl)-2-methylfuran-3-carboxamide
CID 903791
N-(3-carbamothioyl-4-fluorophenyl)-4-chloro-3-fluorobenzamide
CID 107987783
N-[5-[(4-cyanobenzoyl)amino]-2-fluorophenyl]-2-methylfuran-3-carboxamide
CID 46466434
N-[3-(2-amino-2-sulfanylideneethoxy)phenyl]-2-methylfuran-3-carboxamide
CID 43369436

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamothioyl-4-fluorophenyl)-2-methylfuran-3-carboxamide?
The IUPAC name of N-(3-carbamothioyl-4-fluorophenyl)-2-methylfuran-3-carboxamide (CID 62318069) is N-(3-carbamothioyl-4-fluorophenyl)-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-(3-carbamothioyl-4-fluorophenyl)-2-methylfuran-3-carboxamide?
The canonical SMILES for N-(3-carbamothioyl-4-fluorophenyl)-2-methylfuran-3-carboxamide is Cc1occc1C(=O)Nc1ccc(F)c(C(N)=S)c1.
What is the InChIKey of N-(3-carbamothioyl-4-fluorophenyl)-2-methylfuran-3-carboxamide?
The InChIKey is SAOYXIAZHFIAFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O2S/c1-7-9(4-5-18-7)13(17)16-8-2-3-11(14)10(6-8)12(15)19/h2-6H,1H3,(H2,15,19)(H,16,17).
What are the key properties of N-(3-carbamothioyl-4-fluorophenyl)-2-methylfuran-3-carboxamide?
N-(3-carbamothioyl-4-fluorophenyl)-2-methylfuran-3-carboxamide has a molecular weight of 278.31 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamothioyl-4-fluorophenyl)-2-methylfuran-3-carboxamide is sourced from PubChem (CID 62318069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).