N-(3-carbamothioyl-4-fluorophenyl)-2,2-dimethylcyclopropane-1-carboxamide

C13H15FN2OS — CID 107001572

IUPACN-(3-carbamothioyl-4-fluorophenyl)-2,2-dimethylcyclopropane-1-carboxamide
SMILESCC1(C)CC1C(=O)Nc1ccc(F)c(C(N)=S)c1
InChIInChI=1S/C13H15FN2OS/c1-13(2)6-9(13)12(17)16-7-3-4-10(14)8(5-7)11(15)18/h3-5,9H,6H2,1-2H3,(H2,15,18)(H,16,17)
InChIKeyMLPOBLQYSBMHEG-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.44
Rot. Bonds3

About N-(3-carbamothioyl-4-fluorophenyl)-2,2-dimethylcyclopropane-1-carboxamide

N-(3-carbamothioyl-4-fluorophenyl)-2,2-dimethylcyclopropane-1-carboxamide (PubChem CID 107001572) has the molecular formula C13H15FN2OS and a molecular weight of 266.34 g/mol. Its IUPAC name is N-(3-carbamothioyl-4-fluorophenyl)-2,2-dimethylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(3-carbamothioyl-4-fluorophenyl)-2,2-dimethylcyclopropane-1-carboxamide
PubChem CID107001572
Molecular FormulaC13H15FN2OS
Molecular Weight266.34 g/mol
Exact Mass266.09
IUPAC NameN-(3-carbamothioyl-4-fluorophenyl)-2,2-dimethylcyclopropane-1-carboxamide
SMILESCC1(C)CC1C(=O)Nc1ccc(F)c(C(N)=S)c1
InChIInChI=1S/C13H15FN2OS/c1-13(2)6-9(13)12(17)16-7-3-4-10(14)8(5-7)11(15)18/h3-5,9H,6H2,1-2H3,(H2,15,18)(H,16,17)
InChIKeyMLPOBLQYSBMHEG-UHFFFAOYSA-N
XLogP2.44
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
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

(E)-3-[5-[(2,2-dimethylcyclopropanecarbonyl)amino]-2-fluorophenyl]prop-2-enoic acid
CID 107003025
N-[3-(3-amino-2,4-difluorophenyl)-4-methylphenyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 134441971
N-(3,4-dimethylphenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 142139322
N-(4-carbamothioyl-1H-pyrazol-5-yl)-2,2-dimethylcyclopropane-1-carboxamide
CID 107001600
N-(3-carbamothioyl-4-fluorophenyl)-2-methylbutanamide
CID 55057586
(1S)-N-(4-acetamidophenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 6932479
N-(3-carbamothioyl-4-fluorophenyl)pentanamide
CID 62316646
3-(3-carbamothioyl-4-fluorophenyl)-1-ethyl-1-methylurea
CID 79160236
N-[1-(2,2-dimethylcyclopropyl)ethenyl]-4-fluoro-3-prop-1-en-2-ylaniline
CID 134441858
N-(3-carbamothioyl-4-fluorophenyl)-2,4-difluorobenzamide
CID 62317895
5-(but-2-enoylamino)-2-fluorobenzamide
CID 112726723
N-(3-carbamothioyl-4-fluorophenyl)-2-(thian-4-yl)acetamide
CID 83136542

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamothioyl-4-fluorophenyl)-2,2-dimethylcyclopropane-1-carboxamide?
The IUPAC name of N-(3-carbamothioyl-4-fluorophenyl)-2,2-dimethylcyclopropane-1-carboxamide (CID 107001572) is N-(3-carbamothioyl-4-fluorophenyl)-2,2-dimethylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(3-carbamothioyl-4-fluorophenyl)-2,2-dimethylcyclopropane-1-carboxamide?
The canonical SMILES for N-(3-carbamothioyl-4-fluorophenyl)-2,2-dimethylcyclopropane-1-carboxamide is CC1(C)CC1C(=O)Nc1ccc(F)c(C(N)=S)c1.
What is the InChIKey of N-(3-carbamothioyl-4-fluorophenyl)-2,2-dimethylcyclopropane-1-carboxamide?
The InChIKey is MLPOBLQYSBMHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2OS/c1-13(2)6-9(13)12(17)16-7-3-4-10(14)8(5-7)11(15)18/h3-5,9H,6H2,1-2H3,(H2,15,18)(H,16,17).
What are the key properties of N-(3-carbamothioyl-4-fluorophenyl)-2,2-dimethylcyclopropane-1-carboxamide?
N-(3-carbamothioyl-4-fluorophenyl)-2,2-dimethylcyclopropane-1-carboxamide has a molecular weight of 266.34 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-(3-carbamothioyl-4-fluorophenyl)-2,2-dimethylcyclopropane-1-carboxamide is sourced from PubChem (CID 107001572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).