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

C14H18FN3OS — CID 64949883

IUPACN-(1-carbamothioyl-4-methylcyclohexyl)-3-fluoropyridine-4-carboxamide
SMILESCC1CCC(NC(=O)c2ccncc2F)(C(N)=S)CC1
InChIInChI=1S/C14H18FN3OS/c1-9-2-5-14(6-3-9,13(16)20)18-12(19)10-4-7-17-8-11(10)15/h4,7-9H,2-3,5-6H2,1H3,(H2,16,20)(H,18,19)
InChIKeyQQACYKAKVDCDKW-UHFFFAOYSA-N
MW295.38 g/mol
LogP2.19
Rot. Bonds3

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

N-(1-carbamothioyl-4-methylcyclohexyl)-3-fluoropyridine-4-carboxamide (PubChem CID 64949883) has the molecular formula C14H18FN3OS and a molecular weight of 295.38 g/mol. Its IUPAC name is N-(1-carbamothioyl-4-methylcyclohexyl)-3-fluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-(1-carbamothioyl-4-methylcyclohexyl)-3-fluoropyridine-4-carboxamide
PubChem CID64949883
Molecular FormulaC14H18FN3OS
Molecular Weight295.38 g/mol
Exact Mass295.12
IUPAC NameN-(1-carbamothioyl-4-methylcyclohexyl)-3-fluoropyridine-4-carboxamide
SMILESCC1CCC(NC(=O)c2ccncc2F)(C(N)=S)CC1
InChIInChI=1S/C14H18FN3OS/c1-9-2-5-14(6-3-9,13(16)20)18-12(19)10-4-7-17-8-11(10)15/h4,7-9H,2-3,5-6H2,1H3,(H2,16,20)(H,18,19)
InChIKeyQQACYKAKVDCDKW-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'}

Analyze N-(1-carbamothioyl-4-methylcyclohexyl)-3-fluoropyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-carbamothioyl-4-methylcyclohexyl)-2,4-difluorobenzamide
CID 61121738
N-(1-carbamothioyl-4-methylcyclohexyl)pyridine-3-carboxamide
CID 61120552
N-(1-carbamothioyl-4-methylcyclohexyl)-5-fluoropyridine-3-carboxamide
CID 104785855
1-[(3-chloropyridine-4-carbonyl)amino]-4-methylcyclohexane-1-carboxylic acid
CID 66462007
3-chloro-N-[1-(N'-hydroxycarbamimidoyl)-4-methylcyclohexyl]pyridine-4-carboxamide
CID 77135272
1-[(3-fluoropyridine-4-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 64950656
2-bromo-N-(1-carbamothioyl-4-methylcyclohexyl)furan-3-carboxamide
CID 106852171
N-(1-carbamothioyl-4-methylcyclohexyl)-3-methylimidazole-4-carboxamide
CID 103510980
N-(1-carbamothioyl-4-methylcyclohexyl)-3-ethyl-1-methylpyrazole-4-carboxamide
CID 102810478
5-bromo-N-(1-carbamothioyl-4-methylcyclohexyl)-2-methylbenzamide
CID 65307904
N-(4-carbamothioyl-1-methylpiperidin-4-yl)-3-hydroxypyridine-4-carboxamide
CID 81446516
5-bromo-N-(1-carbamothioyl-4-methylcyclohexyl)furan-2-carboxamide
CID 61119358

Frequently Asked Questions

What is the IUPAC name of N-(1-carbamothioyl-4-methylcyclohexyl)-3-fluoropyridine-4-carboxamide?
The IUPAC name of N-(1-carbamothioyl-4-methylcyclohexyl)-3-fluoropyridine-4-carboxamide (CID 64949883) is N-(1-carbamothioyl-4-methylcyclohexyl)-3-fluoropyridine-4-carboxamide.
What is the SMILES notation for N-(1-carbamothioyl-4-methylcyclohexyl)-3-fluoropyridine-4-carboxamide?
The canonical SMILES for N-(1-carbamothioyl-4-methylcyclohexyl)-3-fluoropyridine-4-carboxamide is CC1CCC(NC(=O)c2ccncc2F)(C(N)=S)CC1.
What is the InChIKey of N-(1-carbamothioyl-4-methylcyclohexyl)-3-fluoropyridine-4-carboxamide?
The InChIKey is QQACYKAKVDCDKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3OS/c1-9-2-5-14(6-3-9,13(16)20)18-12(19)10-4-7-17-8-11(10)15/h4,7-9H,2-3,5-6H2,1H3,(H2,16,20)(H,18,19).
What are the key properties of N-(1-carbamothioyl-4-methylcyclohexyl)-3-fluoropyridine-4-carboxamide?
N-(1-carbamothioyl-4-methylcyclohexyl)-3-fluoropyridine-4-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)-3-fluoropyridine-4-carboxamide is sourced from PubChem (CID 64949883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).