N-(1-carbamothioyl-4-methylcyclohexyl)-5-fluoropyridine-3-carboxamide

C14H18FN3OS — CID 104785855

IUPACN-(1-carbamothioyl-4-methylcyclohexyl)-5-fluoropyridine-3-carboxamide
SMILESCC1CCC(NC(=O)c2cncc(F)c2)(C(N)=S)CC1
InChIInChI=1S/C14H18FN3OS/c1-9-2-4-14(5-3-9,13(16)20)18-12(19)10-6-11(15)8-17-7-10/h6-9H,2-5H2,1H3,(H2,16,20)(H,18,19)
InChIKeySZPNMLCUPSDNLG-UHFFFAOYSA-N
MW295.38 g/mol
LogP2.19
Rot. Bonds3

About N-(1-carbamothioyl-4-methylcyclohexyl)-5-fluoropyridine-3-carboxamide

N-(1-carbamothioyl-4-methylcyclohexyl)-5-fluoropyridine-3-carboxamide (PubChem CID 104785855) has the molecular formula C14H18FN3OS and a molecular weight of 295.38 g/mol. Its IUPAC name is N-(1-carbamothioyl-4-methylcyclohexyl)-5-fluoropyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-carbamothioyl-4-methylcyclohexyl)-5-fluoropyridine-3-carboxamide
PubChem CID104785855
Molecular FormulaC14H18FN3OS
Molecular Weight295.38 g/mol
Exact Mass295.12
IUPAC NameN-(1-carbamothioyl-4-methylcyclohexyl)-5-fluoropyridine-3-carboxamide
SMILESCC1CCC(NC(=O)c2cncc(F)c2)(C(N)=S)CC1
InChIInChI=1S/C14H18FN3OS/c1-9-2-4-14(5-3-9,13(16)20)18-12(19)10-6-11(15)8-17-7-10/h6-9H,2-5H2,1H3,(H2,16,20)(H,18,19)
InChIKeySZPNMLCUPSDNLG-UHFFFAOYSA-N
XLogP2.19
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.19
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-(1-carbamothioyl-4-methylcyclohexyl)pyridine-3-carboxamide
CID 61120552
N-(1-carbamothioyl-4-methylcyclohexyl)-2,4-difluorobenzamide
CID 61121738
N-(1-carbamothioyl-4-methylcyclohexyl)-3-fluoropyridine-4-carboxamide
CID 64949883
N-(1-carbamothioyl-4-methylcyclohexyl)-3-methylimidazole-4-carboxamide
CID 103510980
3-bromo-N-(1-carbamothioyl-4-methylcyclohexyl)benzamide
CID 61121742
3-bromo-N-(1-carbamothioyl-4-methylcyclohexyl)-5-methylbenzamide
CID 104851555
N-(1-carbamothioyl-4-methylcyclohexyl)-4-ethylbenzamide
CID 61121732
N-(1-carbamothioylcyclopentyl)-3,5-difluorobenzamide
CID 61119914
1-[(5-fluoropyridine-3-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 104785488
N-carbamoyl-5-fluoropyridine-3-carboxamide
CID 104786685
1-(1-carbamothioyl-4-methylcyclohexyl)-3-(3-fluorophenyl)urea
CID 61123022
2-bromo-N-(1-carbamothioyl-4-methylcyclohexyl)furan-3-carboxamide
CID 106852171

Frequently Asked Questions

What is the IUPAC name of N-(1-carbamothioyl-4-methylcyclohexyl)-5-fluoropyridine-3-carboxamide?
The IUPAC name of N-(1-carbamothioyl-4-methylcyclohexyl)-5-fluoropyridine-3-carboxamide (CID 104785855) is N-(1-carbamothioyl-4-methylcyclohexyl)-5-fluoropyridine-3-carboxamide.
What is the SMILES notation for N-(1-carbamothioyl-4-methylcyclohexyl)-5-fluoropyridine-3-carboxamide?
The canonical SMILES for N-(1-carbamothioyl-4-methylcyclohexyl)-5-fluoropyridine-3-carboxamide is CC1CCC(NC(=O)c2cncc(F)c2)(C(N)=S)CC1.
What is the InChIKey of N-(1-carbamothioyl-4-methylcyclohexyl)-5-fluoropyridine-3-carboxamide?
The InChIKey is SZPNMLCUPSDNLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3OS/c1-9-2-4-14(5-3-9,13(16)20)18-12(19)10-6-11(15)8-17-7-10/h6-9H,2-5H2,1H3,(H2,16,20)(H,18,19).
What are the key properties of N-(1-carbamothioyl-4-methylcyclohexyl)-5-fluoropyridine-3-carboxamide?
N-(1-carbamothioyl-4-methylcyclohexyl)-5-fluoropyridine-3-carboxamide has a molecular weight of 295.38 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-carbamothioyl-4-methylcyclohexyl)-5-fluoropyridine-3-carboxamide is sourced from PubChem (CID 104785855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).