N-(1-carbamothioyl-4-ethylcyclohexyl)-5-fluoropyridine-2-carboxamide

C15H20FN3OS — CID 104638557

IUPACN-(1-carbamothioyl-4-ethylcyclohexyl)-5-fluoropyridine-2-carboxamide
SMILESCCC1CCC(NC(=O)c2ccc(F)cn2)(C(N)=S)CC1
InChIInChI=1S/C15H20FN3OS/c1-2-10-5-7-15(8-6-10,14(17)21)19-13(20)12-4-3-11(16)9-18-12/h3-4,9-10H,2,5-8H2,1H3,(H2,17,21)(H,19,20)
InChIKeyRBSQQILRCJAEGF-UHFFFAOYSA-N
MW309.41 g/mol
LogP2.58
Rot. Bonds4

About N-(1-carbamothioyl-4-ethylcyclohexyl)-5-fluoropyridine-2-carboxamide

N-(1-carbamothioyl-4-ethylcyclohexyl)-5-fluoropyridine-2-carboxamide (PubChem CID 104638557) has the molecular formula C15H20FN3OS and a molecular weight of 309.41 g/mol. Its IUPAC name is N-(1-carbamothioyl-4-ethylcyclohexyl)-5-fluoropyridine-2-carboxamide.

Molecular Properties

Compound NameN-(1-carbamothioyl-4-ethylcyclohexyl)-5-fluoropyridine-2-carboxamide
PubChem CID104638557
Molecular FormulaC15H20FN3OS
Molecular Weight309.41 g/mol
Exact Mass309.13
IUPAC NameN-(1-carbamothioyl-4-ethylcyclohexyl)-5-fluoropyridine-2-carboxamide
SMILESCCC1CCC(NC(=O)c2ccc(F)cn2)(C(N)=S)CC1
InChIInChI=1S/C15H20FN3OS/c1-2-10-5-7-15(8-6-10,14(17)21)19-13(20)12-4-3-11(16)9-18-12/h3-4,9-10H,2,5-8H2,1H3,(H2,17,21)(H,19,20)
InChIKeyRBSQQILRCJAEGF-UHFFFAOYSA-N
XLogP2.58
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.58
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-ethylcyclohexyl)benzamide
CID 61121408
N-(1-carbamothioyl-4-ethylcyclohexyl)-1-methylpyrazole-4-carboxamide
CID 61121809
2-bromo-N-(1-carbamothioyl-4-ethylcyclohexyl)benzamide
CID 61120816
N-(1-carbamothioyl-4-ethylcyclohexyl)-2,5-dichlorothiophene-3-carboxamide
CID 107961704
2-bromo-N-(1-carbamothioyl-4-ethylcyclohexyl)furan-3-carboxamide
CID 106852172
(4-ethylcyclohexyl)-(5-fluoro-2-pyridinyl)methanone
CID 79723336
N-(1-carbamothioyl-4-ethylcyclohexyl)-4-methylthiophene-3-carboxamide
CID 79802020
N-[1-(chloromethyl)-4-methylcyclohexyl]-5-fluoropyridine-2-carboxamide
CID 104643153
N-(3-carbamothioylpentan-3-yl)-5-fluoropyridine-2-carboxamide
CID 104638560
N-[5-(ethylamino)-1-bicyclo[3.2.1]octanyl]-5-fluoropyridine-2-carboxamide
CID 123342907
4-ethyl-1-[(5-fluoropyrimidin-2-yl)amino]cyclohexane-1-carboxylic acid
CID 113432061
N-(1-carbamothioyl-4-methylcyclohexyl)-5-fluoropyridine-3-carboxamide
CID 104785855

Frequently Asked Questions

What is the IUPAC name of N-(1-carbamothioyl-4-ethylcyclohexyl)-5-fluoropyridine-2-carboxamide?
The IUPAC name of N-(1-carbamothioyl-4-ethylcyclohexyl)-5-fluoropyridine-2-carboxamide (CID 104638557) is N-(1-carbamothioyl-4-ethylcyclohexyl)-5-fluoropyridine-2-carboxamide.
What is the SMILES notation for N-(1-carbamothioyl-4-ethylcyclohexyl)-5-fluoropyridine-2-carboxamide?
The canonical SMILES for N-(1-carbamothioyl-4-ethylcyclohexyl)-5-fluoropyridine-2-carboxamide is CCC1CCC(NC(=O)c2ccc(F)cn2)(C(N)=S)CC1.
What is the InChIKey of N-(1-carbamothioyl-4-ethylcyclohexyl)-5-fluoropyridine-2-carboxamide?
The InChIKey is RBSQQILRCJAEGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3OS/c1-2-10-5-7-15(8-6-10,14(17)21)19-13(20)12-4-3-11(16)9-18-12/h3-4,9-10H,2,5-8H2,1H3,(H2,17,21)(H,19,20).
What are the key properties of N-(1-carbamothioyl-4-ethylcyclohexyl)-5-fluoropyridine-2-carboxamide?
N-(1-carbamothioyl-4-ethylcyclohexyl)-5-fluoropyridine-2-carboxamide has a molecular weight of 309.41 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-carbamothioyl-4-ethylcyclohexyl)-5-fluoropyridine-2-carboxamide is sourced from PubChem (CID 104638557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).