N-(2-carbamothioyl-3-fluorophenyl)-3-chlorothiophene-2-carboxamide

C12H8ClFN2OS2 — CID 80645059

IUPACN-(2-carbamothioyl-3-fluorophenyl)-3-chlorothiophene-2-carboxamide
SMILESNC(=S)c1c(F)cccc1NC(=O)c1sccc1Cl
InChIInChI=1S/C12H8ClFN2OS2/c13-6-4-5-19-10(6)12(17)16-8-3-1-2-7(14)9(8)11(15)18/h1-5H,(H2,15,18)(H,16,17)
InChIKeyYFAFRHWAXDKZCM-UHFFFAOYSA-N
MW314.79 g/mol
LogP3.43
Rot. Bonds3

About N-(2-carbamothioyl-3-fluorophenyl)-3-chlorothiophene-2-carboxamide

N-(2-carbamothioyl-3-fluorophenyl)-3-chlorothiophene-2-carboxamide (PubChem CID 80645059) has the molecular formula C12H8ClFN2OS2 and a molecular weight of 314.79 g/mol. Its IUPAC name is N-(2-carbamothioyl-3-fluorophenyl)-3-chlorothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-carbamothioyl-3-fluorophenyl)-3-chlorothiophene-2-carboxamide
PubChem CID80645059
Molecular FormulaC12H8ClFN2OS2
Molecular Weight314.79 g/mol
Exact Mass313.98
IUPAC NameN-(2-carbamothioyl-3-fluorophenyl)-3-chlorothiophene-2-carboxamide
SMILESNC(=S)c1c(F)cccc1NC(=O)c1sccc1Cl
InChIInChI=1S/C12H8ClFN2OS2/c13-6-4-5-19-10(6)12(17)16-8-3-1-2-7(14)9(8)11(15)18/h1-5H,(H2,15,18)(H,16,17)
InChIKeyYFAFRHWAXDKZCM-UHFFFAOYSA-N
XLogP3.43
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.79
LogP ≤ 53.43
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-3-fluorophenyl)-3-chloro-2-methylbenzamide
CID 107096806
3-bromo-N-(2-carbamothioyl-3-fluorophenyl)-4-chlorobenzamide
CID 107999033
N-(2-carbamothioyl-3-methylphenyl)-3-methylthiophene-2-carboxamide
CID 107805808
N-(2-carbamothioyl-3-fluorophenyl)-4-propan-2-ylthiadiazole-5-carboxamide
CID 65204662
N-(2-carbamothioyl-3-fluorophenyl)-2,3-dihydroxybenzamide
CID 114343600
2-[(3-bromothiophene-2-carbonyl)amino]-6-fluorobenzoic acid
CID 55240484
N-(2-carbamothioyl-3-fluorophenyl)-2,5-dihydroxybenzamide
CID 107722046
N-(2-carbamothioyl-3-fluorophenyl)-3-methylbenzamide
CID 43580937
N-(2-carbamothioyl-3-fluorophenyl)cyclopropanecarboxamide
CID 43580877
4-[(3-chlorothiophene-2-carbonyl)amino]-3-fluorobenzoic acid
CID 80644550
N-(2-carbamothioyl-3-fluorophenyl)-5-fluoro-2-methylbenzamide
CID 63048603
2-bromo-N-(2-carbamothioyl-3-fluorophenyl)-4-fluorobenzamide
CID 43580960

Frequently Asked Questions

What is the IUPAC name of N-(2-carbamothioyl-3-fluorophenyl)-3-chlorothiophene-2-carboxamide?
The IUPAC name of N-(2-carbamothioyl-3-fluorophenyl)-3-chlorothiophene-2-carboxamide (CID 80645059) is N-(2-carbamothioyl-3-fluorophenyl)-3-chlorothiophene-2-carboxamide.
What is the SMILES notation for N-(2-carbamothioyl-3-fluorophenyl)-3-chlorothiophene-2-carboxamide?
The canonical SMILES for N-(2-carbamothioyl-3-fluorophenyl)-3-chlorothiophene-2-carboxamide is NC(=S)c1c(F)cccc1NC(=O)c1sccc1Cl.
What is the InChIKey of N-(2-carbamothioyl-3-fluorophenyl)-3-chlorothiophene-2-carboxamide?
The InChIKey is YFAFRHWAXDKZCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClFN2OS2/c13-6-4-5-19-10(6)12(17)16-8-3-1-2-7(14)9(8)11(15)18/h1-5H,(H2,15,18)(H,16,17).
What are the key properties of N-(2-carbamothioyl-3-fluorophenyl)-3-chlorothiophene-2-carboxamide?
N-(2-carbamothioyl-3-fluorophenyl)-3-chlorothiophene-2-carboxamide has a molecular weight of 314.79 g/mol, XLogP of 3.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamothioyl-3-fluorophenyl)-3-chlorothiophene-2-carboxamide is sourced from PubChem (CID 80645059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).