N-(2-carbamothioyl-4-fluorophenyl)bicyclo[3.1.0]hexane-3-carboxamide

C14H15FN2OS — CID 82016441

IUPACN-(2-carbamothioyl-4-fluorophenyl)bicyclo[3.1.0]hexane-3-carboxamide
SMILESNC(=S)c1cc(F)ccc1NC(=O)C1CC2CC2C1
InChIInChI=1S/C14H15FN2OS/c15-10-1-2-12(11(6-10)13(16)19)17-14(18)9-4-7-3-8(7)5-9/h1-2,6-9H,3-5H2,(H2,16,19)(H,17,18)
InChIKeyYHOWVBUHOLWCMY-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.44
Rot. Bonds3

About N-(2-carbamothioyl-4-fluorophenyl)bicyclo[3.1.0]hexane-3-carboxamide

N-(2-carbamothioyl-4-fluorophenyl)bicyclo[3.1.0]hexane-3-carboxamide (PubChem CID 82016441) has the molecular formula C14H15FN2OS and a molecular weight of 278.35 g/mol. Its IUPAC name is N-(2-carbamothioyl-4-fluorophenyl)bicyclo[3.1.0]hexane-3-carboxamide.

Molecular Properties

Compound NameN-(2-carbamothioyl-4-fluorophenyl)bicyclo[3.1.0]hexane-3-carboxamide
PubChem CID82016441
Molecular FormulaC14H15FN2OS
Molecular Weight278.35 g/mol
Exact Mass278.09
IUPAC NameN-(2-carbamothioyl-4-fluorophenyl)bicyclo[3.1.0]hexane-3-carboxamide
SMILESNC(=S)c1cc(F)ccc1NC(=O)C1CC2CC2C1
InChIInChI=1S/C14H15FN2OS/c15-10-1-2-12(11(6-10)13(16)19)17-14(18)9-4-7-3-8(7)5-9/h1-2,6-9H,3-5H2,(H2,16,19)(H,17,18)
InChIKeyYHOWVBUHOLWCMY-UHFFFAOYSA-N
XLogP2.44
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.44
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-(2-carbamothioyl-4-fluorophenyl)-5-methyloxolane-2-carboxamide
CID 82016133
N-[4-fluoro-2-[(E)-N'-hydroxycarbamimidoyl]phenyl]cyclopentanecarboxamide
CID 82685115
N-(2-carbamothioyl-4-fluorophenyl)-5-fluoro-2-hydroxybenzamide
CID 82683463
N-(2-carbamothioyl-4-fluorophenyl)-2-chlorobenzamide
CID 82016442
2-[(3-aminocyclohexanecarbonyl)amino]-5-fluorobenzoic acid
CID 63047302
N-(2-carbamothioyl-4-fluorophenyl)-3,3,3-trifluoropropanamide
CID 82015332
N-(2-carbamothioyl-4-fluorophenyl)pyridazine-4-carboxamide
CID 104670517
N-(4-bromo-2-carbamothioylphenyl)cyclooctanecarboxamide
CID 82695033
N-[4-bromo-2-[(E)-N'-hydroxycarbamimidoyl]phenyl]bicyclo[3.1.0]hexane-3-carboxamide
CID 82704250
2-bromo-N-(2-carbamothioyl-4-fluorophenyl)benzamide
CID 82015339
N-(2,6-difluoro-3-pyridinyl)bicyclo[3.1.0]hexane-3-carboxamide
CID 103098002
N-(2-carbamothioyl-4-fluorophenyl)-3,4-dichlorobenzamide
CID 82683921

Frequently Asked Questions

What is the IUPAC name of N-(2-carbamothioyl-4-fluorophenyl)bicyclo[3.1.0]hexane-3-carboxamide?
The IUPAC name of N-(2-carbamothioyl-4-fluorophenyl)bicyclo[3.1.0]hexane-3-carboxamide (CID 82016441) is N-(2-carbamothioyl-4-fluorophenyl)bicyclo[3.1.0]hexane-3-carboxamide.
What is the SMILES notation for N-(2-carbamothioyl-4-fluorophenyl)bicyclo[3.1.0]hexane-3-carboxamide?
The canonical SMILES for N-(2-carbamothioyl-4-fluorophenyl)bicyclo[3.1.0]hexane-3-carboxamide is NC(=S)c1cc(F)ccc1NC(=O)C1CC2CC2C1.
What is the InChIKey of N-(2-carbamothioyl-4-fluorophenyl)bicyclo[3.1.0]hexane-3-carboxamide?
The InChIKey is YHOWVBUHOLWCMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2OS/c15-10-1-2-12(11(6-10)13(16)19)17-14(18)9-4-7-3-8(7)5-9/h1-2,6-9H,3-5H2,(H2,16,19)(H,17,18).
What are the key properties of N-(2-carbamothioyl-4-fluorophenyl)bicyclo[3.1.0]hexane-3-carboxamide?
N-(2-carbamothioyl-4-fluorophenyl)bicyclo[3.1.0]hexane-3-carboxamide has a molecular weight of 278.35 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamothioyl-4-fluorophenyl)bicyclo[3.1.0]hexane-3-carboxamide is sourced from PubChem (CID 82016441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).