N-(3-carbamothioyl-4-fluorophenyl)-5-ethylthiophene-2-carboxamide

C14H13FN2OS2 — CID 62317186

IUPACN-(3-carbamothioyl-4-fluorophenyl)-5-ethylthiophene-2-carboxamide
SMILESCCc1ccc(C(=O)Nc2ccc(F)c(C(N)=S)c2)s1
InChIInChI=1S/C14H13FN2OS2/c1-2-9-4-6-12(20-9)14(18)17-8-3-5-11(15)10(7-8)13(16)19/h3-7H,2H2,1H3,(H2,16,19)(H,17,18)
InChIKeyMEKLKNFPOAKDKB-UHFFFAOYSA-N
MW308.40 g/mol
LogP3.34
Rot. Bonds4

About N-(3-carbamothioyl-4-fluorophenyl)-5-ethylthiophene-2-carboxamide

N-(3-carbamothioyl-4-fluorophenyl)-5-ethylthiophene-2-carboxamide (PubChem CID 62317186) has the molecular formula C14H13FN2OS2 and a molecular weight of 308.40 g/mol. Its IUPAC name is N-(3-carbamothioyl-4-fluorophenyl)-5-ethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-carbamothioyl-4-fluorophenyl)-5-ethylthiophene-2-carboxamide
PubChem CID62317186
Molecular FormulaC14H13FN2OS2
Molecular Weight308.40 g/mol
Exact Mass308.05
IUPAC NameN-(3-carbamothioyl-4-fluorophenyl)-5-ethylthiophene-2-carboxamide
SMILESCCc1ccc(C(=O)Nc2ccc(F)c(C(N)=S)c2)s1
InChIInChI=1S/C14H13FN2OS2/c1-2-9-4-6-12(20-9)14(18)17-8-3-5-11(15)10(7-8)13(16)19/h3-7H,2H2,1H3,(H2,16,19)(H,17,18)
InChIKeyMEKLKNFPOAKDKB-UHFFFAOYSA-N
XLogP3.34
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 53.34
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-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]-5-ethylthiophene-2-carboxamide
CID 104780839
5-ethyl-N-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]thiophene-2-carboxamide
CID 104780467
N-(3-carbamothioyl-4-fluorophenyl)-2-methylfuran-3-carboxamide
CID 62318069
N-(3-carbamoylphenyl)-5-ethylthiophene-2-carboxamide
CID 47114852
N-(3-carbamothioyl-4-fluorophenyl)-2-methylbutanamide
CID 55057586
N-(3-carbamothioyl-4-fluorophenyl)pentanamide
CID 62316646
3-(3-carbamothioyl-4-fluorophenyl)-1-ethyl-1-methylurea
CID 79160236
N-(1,3-benzodioxol-5-yl)-5-ethylthiophene-2-carboxamide
CID 47114542
N-(4-bromophenyl)-5-ethylthiophene-2-carboxamide
CID 36676613
N-[4-chloro-3-(trifluoromethyl)phenyl]-5-ethylthiophene-2-carboxamide
CID 4219949
N-(3-carbamothioyl-4-fluorophenyl)-2,4-difluorobenzamide
CID 62317895
5-ethyl-N-[4-(hydroxymethyl)phenyl]thiophene-2-carboxamide
CID 64793569

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamothioyl-4-fluorophenyl)-5-ethylthiophene-2-carboxamide?
The IUPAC name of N-(3-carbamothioyl-4-fluorophenyl)-5-ethylthiophene-2-carboxamide (CID 62317186) is N-(3-carbamothioyl-4-fluorophenyl)-5-ethylthiophene-2-carboxamide.
What is the SMILES notation for N-(3-carbamothioyl-4-fluorophenyl)-5-ethylthiophene-2-carboxamide?
The canonical SMILES for N-(3-carbamothioyl-4-fluorophenyl)-5-ethylthiophene-2-carboxamide is CCc1ccc(C(=O)Nc2ccc(F)c(C(N)=S)c2)s1.
What is the InChIKey of N-(3-carbamothioyl-4-fluorophenyl)-5-ethylthiophene-2-carboxamide?
The InChIKey is MEKLKNFPOAKDKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2OS2/c1-2-9-4-6-12(20-9)14(18)17-8-3-5-11(15)10(7-8)13(16)19/h3-7H,2H2,1H3,(H2,16,19)(H,17,18).
What are the key properties of N-(3-carbamothioyl-4-fluorophenyl)-5-ethylthiophene-2-carboxamide?
N-(3-carbamothioyl-4-fluorophenyl)-5-ethylthiophene-2-carboxamide has a molecular weight of 308.40 g/mol, XLogP of 3.34, 4 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)-5-ethylthiophene-2-carboxamide is sourced from PubChem (CID 62317186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).