1-carbamothioyl-N-(4-fluoro-2-methylphenyl)cyclopropane-1-carboxamide

C12H13FN2OS — CID 80593248

IUPAC1-carbamothioyl-N-(4-fluoro-2-methylphenyl)cyclopropane-1-carboxamide
SMILESCc1cc(F)ccc1NC(=O)C1(C(N)=S)CC1
InChIInChI=1S/C12H13FN2OS/c1-7-6-8(13)2-3-9(7)15-11(16)12(4-5-12)10(14)17/h2-3,6H,4-5H2,1H3,(H2,14,17)(H,15,16)
InChIKeyURZUQXIFQTYRDT-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.14
Rot. Bonds3

About 1-carbamothioyl-N-(4-fluoro-2-methylphenyl)cyclopropane-1-carboxamide

1-carbamothioyl-N-(4-fluoro-2-methylphenyl)cyclopropane-1-carboxamide (PubChem CID 80593248) has the molecular formula C12H13FN2OS and a molecular weight of 252.31 g/mol. Its IUPAC name is 1-carbamothioyl-N-(4-fluoro-2-methylphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-carbamothioyl-N-(4-fluoro-2-methylphenyl)cyclopropane-1-carboxamide
PubChem CID80593248
Molecular FormulaC12H13FN2OS
Molecular Weight252.31 g/mol
Exact Mass252.07
IUPAC Name1-carbamothioyl-N-(4-fluoro-2-methylphenyl)cyclopropane-1-carboxamide
SMILESCc1cc(F)ccc1NC(=O)C1(C(N)=S)CC1
InChIInChI=1S/C12H13FN2OS/c1-7-6-8(13)2-3-9(7)15-11(16)12(4-5-12)10(14)17/h2-3,6H,4-5H2,1H3,(H2,14,17)(H,15,16)
InChIKeyURZUQXIFQTYRDT-UHFFFAOYSA-N
XLogP2.14
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.14
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-carbamothioyl-N-(2,5-difluoro-4-methylphenyl)cyclopropane-1-carboxamide
CID 103586162
1-carbamothioyl-N-(2,6-difluoro-3-methylphenyl)cyclopropane-1-carboxamide
CID 82818999
N-(4-fluoro-2-methylphenyl)-1-hydroxycyclobutane-1-carboxamide
CID 126766616
(4-fluoro-2-methylphenyl)thiourea
CID 28888222
1-N-(2,4-difluorophenyl)-1-N'-(2-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108980715
1-N'-(2,4-difluorophenyl)cyclopropane-1,1-dicarboxamide
CID 175093639
N-(4-fluoro-2-methylphenyl)-4-methylpiperidine-4-carboxamide
CID 63121495
1-carbamothioyl-N-(2,3,5,6-tetrafluorophenyl)cyclopropane-1-carboxamide
CID 107641986
1-carbamothioyl-N-(4-chloro-2-fluorophenyl)cyclobutane-1-carboxamide
CID 80589467
1-carbamothioyl-N-(2-methoxy-5-methylphenyl)cyclopropane-1-carboxamide
CID 80591589
1-carbamothioyl-N-(2,6-difluoro-3-methylphenyl)cyclohexane-1-carboxamide
CID 82801520
1-carbamothioyl-N-(3-methyl-4-pyridinyl)cyclobutane-1-carboxamide
CID 80591376

Frequently Asked Questions

What is the IUPAC name of 1-carbamothioyl-N-(4-fluoro-2-methylphenyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-carbamothioyl-N-(4-fluoro-2-methylphenyl)cyclopropane-1-carboxamide (CID 80593248) is 1-carbamothioyl-N-(4-fluoro-2-methylphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-carbamothioyl-N-(4-fluoro-2-methylphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-carbamothioyl-N-(4-fluoro-2-methylphenyl)cyclopropane-1-carboxamide is Cc1cc(F)ccc1NC(=O)C1(C(N)=S)CC1.
What is the InChIKey of 1-carbamothioyl-N-(4-fluoro-2-methylphenyl)cyclopropane-1-carboxamide?
The InChIKey is URZUQXIFQTYRDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2OS/c1-7-6-8(13)2-3-9(7)15-11(16)12(4-5-12)10(14)17/h2-3,6H,4-5H2,1H3,(H2,14,17)(H,15,16).
What are the key properties of 1-carbamothioyl-N-(4-fluoro-2-methylphenyl)cyclopropane-1-carboxamide?
1-carbamothioyl-N-(4-fluoro-2-methylphenyl)cyclopropane-1-carboxamide has a molecular weight of 252.31 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamothioyl-N-(4-fluoro-2-methylphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 80593248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).