N-(2-carbamothioyl-3-fluorophenyl)cyclopropanecarboxamide

C11H11FN2OS — CID 43580877

IUPACN-(2-carbamothioyl-3-fluorophenyl)cyclopropanecarboxamide
SMILESNC(=S)c1c(F)cccc1NC(=O)C1CC1
InChIInChI=1S/C11H11FN2OS/c12-7-2-1-3-8(9(7)10(13)16)14-11(15)6-4-5-6/h1-3,6H,4-5H2,(H2,13,16)(H,14,15)
InChIKeySOOHDLVRVDLWFF-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.81
Rot. Bonds3

About N-(2-carbamothioyl-3-fluorophenyl)cyclopropanecarboxamide

N-(2-carbamothioyl-3-fluorophenyl)cyclopropanecarboxamide (PubChem CID 43580877) has the molecular formula C11H11FN2OS and a molecular weight of 238.29 g/mol. Its IUPAC name is N-(2-carbamothioyl-3-fluorophenyl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(2-carbamothioyl-3-fluorophenyl)cyclopropanecarboxamide
PubChem CID43580877
Molecular FormulaC11H11FN2OS
Molecular Weight238.29 g/mol
Exact Mass238.06
IUPAC NameN-(2-carbamothioyl-3-fluorophenyl)cyclopropanecarboxamide
SMILESNC(=S)c1c(F)cccc1NC(=O)C1CC1
InChIInChI=1S/C11H11FN2OS/c12-7-2-1-3-8(9(7)10(13)16)14-11(15)6-4-5-6/h1-3,6H,4-5H2,(H2,13,16)(H,14,15)
InChIKeySOOHDLVRVDLWFF-UHFFFAOYSA-N
XLogP1.81
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.81
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

1-(2-carbamothioyl-3-fluorophenyl)-3-cyclobutylurea
CID 116658288
N-(2-carbamothioyl-3-fluorophenyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 66394761
N-(2-carbamothioyl-3-methylphenyl)cyclohexanecarboxamide
CID 107805800
4-amino-N-(2-fluorophenyl)cyclohexane-1-carboxamide
CID 60847748
2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-6-fluorobenzoic acid
CID 79511939
N-(2-carbamothioyl-3-fluorophenyl)-2-cyclopropylpropanamide
CID 83154703
N-(2-carbamothioyl-3-methylphenyl)-4,4-difluorocyclohexane-1-carboxamide
CID 107805571
N-(2-carbamothioyl-3-fluorophenyl)-2,4,5-trimethyloxolane-3-carboxamide
CID 65156416
N-[3-fluoro-2-(N'-hydroxycarbamimidoyl)phenyl]oxane-4-carboxamide
CID 76977160
4-N-(2-chlorophenyl)-1-N-(2-fluorophenyl)cyclohexane-1,4-dicarboxamide
CID 109150860
1-(2-carbamothioyl-3-fluorophenyl)-3-(4-fluorophenyl)urea
CID 43581005
1-tert-butyl-3-(2-carbamothioyl-3-fluorophenyl)urea
CID 43581015

Frequently Asked Questions

What is the IUPAC name of N-(2-carbamothioyl-3-fluorophenyl)cyclopropanecarboxamide?
The IUPAC name of N-(2-carbamothioyl-3-fluorophenyl)cyclopropanecarboxamide (CID 43580877) is N-(2-carbamothioyl-3-fluorophenyl)cyclopropanecarboxamide.
What is the SMILES notation for N-(2-carbamothioyl-3-fluorophenyl)cyclopropanecarboxamide?
The canonical SMILES for N-(2-carbamothioyl-3-fluorophenyl)cyclopropanecarboxamide is NC(=S)c1c(F)cccc1NC(=O)C1CC1.
What is the InChIKey of N-(2-carbamothioyl-3-fluorophenyl)cyclopropanecarboxamide?
The InChIKey is SOOHDLVRVDLWFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2OS/c12-7-2-1-3-8(9(7)10(13)16)14-11(15)6-4-5-6/h1-3,6H,4-5H2,(H2,13,16)(H,14,15).
What are the key properties of N-(2-carbamothioyl-3-fluorophenyl)cyclopropanecarboxamide?
N-(2-carbamothioyl-3-fluorophenyl)cyclopropanecarboxamide has a molecular weight of 238.29 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamothioyl-3-fluorophenyl)cyclopropanecarboxamide is sourced from PubChem (CID 43580877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).