N-[(5-fluoro-2-methylphenyl)methylcarbamothioyl]furan-2-carboxamide

C14H13FN2O2S — CID 3535012

IUPACN-[(5-fluoro-2-methylphenyl)methylcarbamothioyl]furan-2-carboxamide
SMILESCc1ccc(F)cc1CNC(=S)NC(=O)c1ccco1
InChIInChI=1S/C14H13FN2O2S/c1-9-4-5-11(15)7-10(9)8-16-14(20)17-13(18)12-3-2-6-19-12/h2-7H,8H2,1H3,(H2,16,17,18,20)
InChIKeyGCNINECLTPCSGM-UHFFFAOYSA-N
MW292.33 g/mol
LogP2.53
Rot. Bonds3

About N-[(5-fluoro-2-methylphenyl)methylcarbamothioyl]furan-2-carboxamide

N-[(5-fluoro-2-methylphenyl)methylcarbamothioyl]furan-2-carboxamide (PubChem CID 3535012) has the molecular formula C14H13FN2O2S and a molecular weight of 292.33 g/mol. Its IUPAC name is N-[(5-fluoro-2-methylphenyl)methylcarbamothioyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(5-fluoro-2-methylphenyl)methylcarbamothioyl]furan-2-carboxamide
PubChem CID3535012
Molecular FormulaC14H13FN2O2S
Molecular Weight292.33 g/mol
Exact Mass292.07
IUPAC NameN-[(5-fluoro-2-methylphenyl)methylcarbamothioyl]furan-2-carboxamide
SMILESCc1ccc(F)cc1CNC(=S)NC(=O)c1ccco1
InChIInChI=1S/C14H13FN2O2S/c1-9-4-5-11(15)7-10(9)8-16-14(20)17-13(18)12-3-2-6-19-12/h2-7H,8H2,1H3,(H2,16,17,18,20)
InChIKeyGCNINECLTPCSGM-UHFFFAOYSA-N
XLogP2.53
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 52.53
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

1-[(5-fluoro-2-methylphenyl)methyl]-3-(2-phenylethyl)thiourea
CID 3748869
N-[(2-chlorophenyl)methylcarbamothioyl]furan-2-carboxamide
CID 17194361
N-(furan-2-ylmethylcarbamothioyl)furan-2-carboxamide
CID 702076
N-(dodecylcarbamothioyl)furan-2-carboxamide
CID 10958704
N-(5-fluoro-2-methylphenyl)furan-2-carboxamide
CID 4275844
N-[(2-hydroxy-4,5-dimethylphenyl)carbamothioyl]furan-2-carboxamide
CID 1344884
N-(prop-2-enylcarbamothioyl)furan-2-carboxamide
CID 2294785
1-(1,3-benzodioxol-5-ylmethyl)-3-[(5-fluoro-2-methylphenyl)methyl]thiourea
CID 23940152
N-[(6-fluoro-1,3-benzothiazol-2-yl)carbamothioyl]furan-2-carboxamide
CID 953520
ethyl 3-[(5-fluoro-2-methylphenyl)methylcarbamothioylamino]benzoate
CID 23735790
N-[2-(4-fluorophenyl)ethylcarbamoyl]furan-2-carboxamide
CID 110866126
N-[2-[(3,4-dimethylphenyl)carbamoylamino]ethyl]furan-2-carboxamide
CID 47031833

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-2-methylphenyl)methylcarbamothioyl]furan-2-carboxamide?
The IUPAC name of N-[(5-fluoro-2-methylphenyl)methylcarbamothioyl]furan-2-carboxamide (CID 3535012) is N-[(5-fluoro-2-methylphenyl)methylcarbamothioyl]furan-2-carboxamide.
What is the SMILES notation for N-[(5-fluoro-2-methylphenyl)methylcarbamothioyl]furan-2-carboxamide?
The canonical SMILES for N-[(5-fluoro-2-methylphenyl)methylcarbamothioyl]furan-2-carboxamide is Cc1ccc(F)cc1CNC(=S)NC(=O)c1ccco1.
What is the InChIKey of N-[(5-fluoro-2-methylphenyl)methylcarbamothioyl]furan-2-carboxamide?
The InChIKey is GCNINECLTPCSGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O2S/c1-9-4-5-11(15)7-10(9)8-16-14(20)17-13(18)12-3-2-6-19-12/h2-7H,8H2,1H3,(H2,16,17,18,20).
What are the key properties of N-[(5-fluoro-2-methylphenyl)methylcarbamothioyl]furan-2-carboxamide?
N-[(5-fluoro-2-methylphenyl)methylcarbamothioyl]furan-2-carboxamide has a molecular weight of 292.33 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-2-methylphenyl)methylcarbamothioyl]furan-2-carboxamide is sourced from PubChem (CID 3535012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).