1-carbamothioyl-N-(3-fluoro-5-methylphenyl)cyclohexane-1-carboxamide

C15H19FN2OS — CID 79049329

IUPAC1-carbamothioyl-N-(3-fluoro-5-methylphenyl)cyclohexane-1-carboxamide
SMILESCc1cc(F)cc(NC(=O)C2(C(N)=S)CCCCC2)c1
InChIInChI=1S/C15H19FN2OS/c1-10-7-11(16)9-12(8-10)18-14(19)15(13(17)20)5-3-2-4-6-15/h7-9H,2-6H2,1H3,(H2,17,20)(H,18,19)
InChIKeyJCKNFVFODGXAGU-UHFFFAOYSA-N
MW294.39 g/mol
LogP3.31
Rot. Bonds3

About 1-carbamothioyl-N-(3-fluoro-5-methylphenyl)cyclohexane-1-carboxamide

1-carbamothioyl-N-(3-fluoro-5-methylphenyl)cyclohexane-1-carboxamide (PubChem CID 79049329) has the molecular formula C15H19FN2OS and a molecular weight of 294.39 g/mol. Its IUPAC name is 1-carbamothioyl-N-(3-fluoro-5-methylphenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-carbamothioyl-N-(3-fluoro-5-methylphenyl)cyclohexane-1-carboxamide
PubChem CID79049329
Molecular FormulaC15H19FN2OS
Molecular Weight294.39 g/mol
Exact Mass294.12
IUPAC Name1-carbamothioyl-N-(3-fluoro-5-methylphenyl)cyclohexane-1-carboxamide
SMILESCc1cc(F)cc(NC(=O)C2(C(N)=S)CCCCC2)c1
InChIInChI=1S/C15H19FN2OS/c1-10-7-11(16)9-12(8-10)18-14(19)15(13(17)20)5-3-2-4-6-15/h7-9H,2-6H2,1H3,(H2,17,20)(H,18,19)
InChIKeyJCKNFVFODGXAGU-UHFFFAOYSA-N
XLogP3.31
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-bromo-5-methylphenyl)-1-carbamothioylcyclopropane-1-carboxamide
CID 107583687
1-carbamothioyl-N-(3,4,5-trifluorophenyl)cyclopropane-1-carboxamide
CID 80590029
1-carbamothioyl-N-(2,6-dibromo-4-methylphenyl)cyclobutane-1-carboxamide
CID 80592110
1-carbamothioyl-N-(2,6-difluoro-3-methylphenyl)cyclohexane-1-carboxamide
CID 82801520
1-carbamothioyl-N-(2-chloro-5-methylphenyl)cyclobutane-1-carboxamide
CID 107625997
1-(aminomethyl)-N-(3-fluoro-5-methylphenyl)cyclopropane-1-carboxamide
CID 115453477
1-carbamothioyl-N-(3-chloro-4-fluorophenyl)cyclobutane-1-carboxamide
CID 80592744
N-(5-bromo-3-methyl-2-pyridinyl)-1-carbamothioylcycloheptane-1-carboxamide
CID 83166255
3-ethyl-N-(3-fluoro-5-methylphenyl)piperidine-3-carboxamide
CID 79049943
1-carbamothioyl-N-(3,5-dichlorophenyl)cyclopropane-1-carboxamide
CID 80591867
1-carbamothioyl-N-(4-fluoro-2-methylphenyl)cyclopropane-1-carboxamide
CID 80593248
N-(3-fluoro-5-methylphenyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 79049706

Frequently Asked Questions

What is the IUPAC name of 1-carbamothioyl-N-(3-fluoro-5-methylphenyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-carbamothioyl-N-(3-fluoro-5-methylphenyl)cyclohexane-1-carboxamide (CID 79049329) is 1-carbamothioyl-N-(3-fluoro-5-methylphenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-carbamothioyl-N-(3-fluoro-5-methylphenyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-carbamothioyl-N-(3-fluoro-5-methylphenyl)cyclohexane-1-carboxamide is Cc1cc(F)cc(NC(=O)C2(C(N)=S)CCCCC2)c1.
What is the InChIKey of 1-carbamothioyl-N-(3-fluoro-5-methylphenyl)cyclohexane-1-carboxamide?
The InChIKey is JCKNFVFODGXAGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2OS/c1-10-7-11(16)9-12(8-10)18-14(19)15(13(17)20)5-3-2-4-6-15/h7-9H,2-6H2,1H3,(H2,17,20)(H,18,19).
What are the key properties of 1-carbamothioyl-N-(3-fluoro-5-methylphenyl)cyclohexane-1-carboxamide?
1-carbamothioyl-N-(3-fluoro-5-methylphenyl)cyclohexane-1-carboxamide has a molecular weight of 294.39 g/mol, XLogP of 3.31, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamothioyl-N-(3-fluoro-5-methylphenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 79049329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).