1-(benzenecarbonothioyl)-3-(4-fluorophenyl)urea

C14H11FN2OS — CID 972849

IUPAC1-(benzenecarbonothioyl)-3-(4-fluorophenyl)urea
SMILESO=C(NC(=S)c1ccccc1)Nc1ccc(F)cc1
InChIInChI=1S/C14H11FN2OS/c15-11-6-8-12(9-7-11)16-14(18)17-13(19)10-4-2-1-3-5-10/h1-9H,(H2,16,17,18,19)
InChIKeyZCHJLYSFMKRNJF-UHFFFAOYSA-N
MW274.32 g/mol
LogP3.32
Rot. Bonds2

About 1-(benzenecarbonothioyl)-3-(4-fluorophenyl)urea

1-(benzenecarbonothioyl)-3-(4-fluorophenyl)urea (PubChem CID 972849) has the molecular formula C14H11FN2OS and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-(benzenecarbonothioyl)-3-(4-fluorophenyl)urea.

Molecular Properties

Compound Name1-(benzenecarbonothioyl)-3-(4-fluorophenyl)urea
PubChem CID972849
Molecular FormulaC14H11FN2OS
Molecular Weight274.32 g/mol
Exact Mass274.06
IUPAC Name1-(benzenecarbonothioyl)-3-(4-fluorophenyl)urea
SMILESO=C(NC(=S)c1ccccc1)Nc1ccc(F)cc1
InChIInChI=1S/C14H11FN2OS/c15-11-6-8-12(9-7-11)16-14(18)17-13(19)10-4-2-1-3-5-10/h1-9H,(H2,16,17,18,19)
InChIKeyZCHJLYSFMKRNJF-UHFFFAOYSA-N
XLogP3.32
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 53.32
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-(4-bromobenzenecarbothioyl)-3-phenylurea
CID 5007969
N-[[(4-benzamidobenzoyl)amino]carbamothioyl]-4-fluorobenzamide
CID 3503580
4-benzoyl-N-(4-fluorophenyl)benzamide
CID 2315903
[(E)-[2-(4-fluoroanilino)-1-phenyl-2-sulfanylideneethylidene]amino]urea
CID 95240440
3-(benzoylcarbamothioylamino)-N-(4-fluorophenyl)benzamide
CID 26159726
N-(4-fluorophenyl)-2-(phenylcarbamoylamino)propanamide
CID 51148415
N-[(4-fluorophenyl)carbamothioyl]-2,2-diphenylacetamide
CID 1048111
2-chloro-N-(4-fluorophenyl)-3-oxo-3-phenylpropanamide
CID 4736856
(2R)-2-[(4-fluorophenyl)carbamoylamino]propanoic acid
CID 20848024
5-[(4-fluorophenyl)carbamoylamino]-5-oxopentanoic acid
CID 28931821
1-(4-fluoroanilino)-3-(4-fluorophenyl)urea
CID 27165314
4-chloro-N-(4-fluorophenyl)benzenecarbothioamide
CID 86183001

Frequently Asked Questions

What is the IUPAC name of 1-(benzenecarbonothioyl)-3-(4-fluorophenyl)urea?
The IUPAC name of 1-(benzenecarbonothioyl)-3-(4-fluorophenyl)urea (CID 972849) is 1-(benzenecarbonothioyl)-3-(4-fluorophenyl)urea.
What is the SMILES notation for 1-(benzenecarbonothioyl)-3-(4-fluorophenyl)urea?
The canonical SMILES for 1-(benzenecarbonothioyl)-3-(4-fluorophenyl)urea is O=C(NC(=S)c1ccccc1)Nc1ccc(F)cc1.
What is the InChIKey of 1-(benzenecarbonothioyl)-3-(4-fluorophenyl)urea?
The InChIKey is ZCHJLYSFMKRNJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2OS/c15-11-6-8-12(9-7-11)16-14(18)17-13(19)10-4-2-1-3-5-10/h1-9H,(H2,16,17,18,19).
What are the key properties of 1-(benzenecarbonothioyl)-3-(4-fluorophenyl)urea?
1-(benzenecarbonothioyl)-3-(4-fluorophenyl)urea has a molecular weight of 274.32 g/mol, XLogP of 3.32, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenecarbonothioyl)-3-(4-fluorophenyl)urea is sourced from PubChem (CID 972849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).