2-(2-carbamothioyl-3-fluoroanilino)-2-methylpropanamide

C11H14FN3OS — CID 79519748

IUPAC2-(2-carbamothioyl-3-fluoroanilino)-2-methylpropanamide
SMILESCC(C)(Nc1cccc(F)c1C(N)=S)C(N)=O
InChIInChI=1S/C11H14FN3OS/c1-11(2,10(14)16)15-7-5-3-4-6(12)8(7)9(13)17/h3-5,15H,1-2H3,(H2,13,17)(H2,14,16)
InChIKeyCMZAAOFSLLRPJX-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.14
Rot. Bonds4

About 2-(2-carbamothioyl-3-fluoroanilino)-2-methylpropanamide

2-(2-carbamothioyl-3-fluoroanilino)-2-methylpropanamide (PubChem CID 79519748) has the molecular formula C11H14FN3OS and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-(2-carbamothioyl-3-fluoroanilino)-2-methylpropanamide.

Molecular Properties

Compound Name2-(2-carbamothioyl-3-fluoroanilino)-2-methylpropanamide
PubChem CID79519748
Molecular FormulaC11H14FN3OS
Molecular Weight255.32 g/mol
Exact Mass255.08
IUPAC Name2-(2-carbamothioyl-3-fluoroanilino)-2-methylpropanamide
SMILESCC(C)(Nc1cccc(F)c1C(N)=S)C(N)=O
InChIInChI=1S/C11H14FN3OS/c1-11(2,10(14)16)15-7-5-3-4-6(12)8(7)9(13)17/h3-5,15H,1-2H3,(H2,13,17)(H2,14,16)
InChIKeyCMZAAOFSLLRPJX-UHFFFAOYSA-N
XLogP1.14
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-tert-butyl-3-(2-carbamothioyl-3-fluorophenyl)urea
CID 43581015
N-(2-carbamothioyl-3-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112602650
2-(4-carbamothioyl-2,3-difluoroanilino)-2-methylpropanamide
CID 107934852
ethyl 3-(2-carbamothioyl-3-fluoroanilino)propanoate
CID 79520406
2-fluoro-6-(2,4,6-trifluoroanilino)benzenecarbothioamide
CID 79520418
2-fluoro-6-(2,3,5,6-tetrafluoroanilino)benzenecarbothioamide
CID 107644915
N-(2-carbamothioyl-3-fluorophenyl)cyclopropanecarboxamide
CID 43580877
2-fluoro-6-(pentylamino)benzenecarbothioamide
CID 79513321
2-methyl-2-[2-(trifluoromethyl)anilino]propanamide
CID 62312755
N-(2-carbamothioyl-3-fluorophenyl)-2-propylpentanamide
CID 82985432
N-(2-carbamothioyl-3-fluorophenyl)-2-methylsulfonylpropanamide
CID 104519330
N-(2-carbamothioyl-3-fluorophenyl)-3-methylbenzamide
CID 43580937

Frequently Asked Questions

What is the IUPAC name of 2-(2-carbamothioyl-3-fluoroanilino)-2-methylpropanamide?
The IUPAC name of 2-(2-carbamothioyl-3-fluoroanilino)-2-methylpropanamide (CID 79519748) is 2-(2-carbamothioyl-3-fluoroanilino)-2-methylpropanamide.
What is the SMILES notation for 2-(2-carbamothioyl-3-fluoroanilino)-2-methylpropanamide?
The canonical SMILES for 2-(2-carbamothioyl-3-fluoroanilino)-2-methylpropanamide is CC(C)(Nc1cccc(F)c1C(N)=S)C(N)=O.
What is the InChIKey of 2-(2-carbamothioyl-3-fluoroanilino)-2-methylpropanamide?
The InChIKey is CMZAAOFSLLRPJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3OS/c1-11(2,10(14)16)15-7-5-3-4-6(12)8(7)9(13)17/h3-5,15H,1-2H3,(H2,13,17)(H2,14,16).
What are the key properties of 2-(2-carbamothioyl-3-fluoroanilino)-2-methylpropanamide?
2-(2-carbamothioyl-3-fluoroanilino)-2-methylpropanamide has a molecular weight of 255.32 g/mol, XLogP of 1.14, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-carbamothioyl-3-fluoroanilino)-2-methylpropanamide is sourced from PubChem (CID 79519748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).