1-(2-carbamothioyl-3-fluorophenyl)-3-(4-fluorophenyl)urea

C14H11F2N3OS — CID 43581005

IUPAC1-(2-carbamothioyl-3-fluorophenyl)-3-(4-fluorophenyl)urea
SMILESNC(=S)c1c(F)cccc1NC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C14H11F2N3OS/c15-8-4-6-9(7-5-8)18-14(20)19-11-3-1-2-10(16)12(11)13(17)21/h1-7H,(H2,17,21)(H2,18,19,20)
InChIKeyZAYQAOSWJKYKRK-UHFFFAOYSA-N
MW307.32 g/mol
LogP3.24
Rot. Bonds3

About 1-(2-carbamothioyl-3-fluorophenyl)-3-(4-fluorophenyl)urea

1-(2-carbamothioyl-3-fluorophenyl)-3-(4-fluorophenyl)urea (PubChem CID 43581005) has the molecular formula C14H11F2N3OS and a molecular weight of 307.32 g/mol. Its IUPAC name is 1-(2-carbamothioyl-3-fluorophenyl)-3-(4-fluorophenyl)urea.

Molecular Properties

Compound Name1-(2-carbamothioyl-3-fluorophenyl)-3-(4-fluorophenyl)urea
PubChem CID43581005
Molecular FormulaC14H11F2N3OS
Molecular Weight307.32 g/mol
Exact Mass307.06
IUPAC Name1-(2-carbamothioyl-3-fluorophenyl)-3-(4-fluorophenyl)urea
SMILESNC(=S)c1c(F)cccc1NC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C14H11F2N3OS/c15-8-4-6-9(7-5-8)18-14(20)19-11-3-1-2-10(16)12(11)13(17)21/h1-7H,(H2,17,21)(H2,18,19,20)
InChIKeyZAYQAOSWJKYKRK-UHFFFAOYSA-N
XLogP3.24
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.32
LogP ≤ 53.24
H-Bond Donors ≤ 53
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-methylphenyl)-3-(4-fluorophenyl)urea
CID 107798932
1-tert-butyl-3-(2-carbamothioyl-3-fluorophenyl)urea
CID 43581015
1-(2-carbamothioyl-3-fluorophenyl)-3-cyclobutylurea
CID 116658288
N-(2-carbamothioyl-3-fluorophenyl)cyclopropanecarboxamide
CID 43580877
N-(2-carbamothioyl-3-fluorophenyl)-5-fluoro-2-methylbenzamide
CID 63048603
2-bromo-N-(2-carbamothioyl-3-fluorophenyl)-4-fluorobenzamide
CID 43580960
2-[2-[(4-fluorophenyl)carbamoylamino]phenyl]acetamide
CID 90271537
N-(2-carbamothioyl-3-fluorophenyl)-2-propylpentanamide
CID 82985432
N-(2-carbamothioyl-3-fluorophenyl)-2-methylsulfonylpropanamide
CID 104519330
N-(2-carbamothioyl-3-fluorophenyl)-2,3-dihydroxybenzamide
CID 114343600
2-(carbamothioylamino)-6-fluorobenzamide
CID 169356311
N-(2-carbamothioyl-3-fluorophenyl)-2-cyclopropylpropanamide
CID 83154703

Frequently Asked Questions

What is the IUPAC name of 1-(2-carbamothioyl-3-fluorophenyl)-3-(4-fluorophenyl)urea?
The IUPAC name of 1-(2-carbamothioyl-3-fluorophenyl)-3-(4-fluorophenyl)urea (CID 43581005) is 1-(2-carbamothioyl-3-fluorophenyl)-3-(4-fluorophenyl)urea.
What is the SMILES notation for 1-(2-carbamothioyl-3-fluorophenyl)-3-(4-fluorophenyl)urea?
The canonical SMILES for 1-(2-carbamothioyl-3-fluorophenyl)-3-(4-fluorophenyl)urea is NC(=S)c1c(F)cccc1NC(=O)Nc1ccc(F)cc1.
What is the InChIKey of 1-(2-carbamothioyl-3-fluorophenyl)-3-(4-fluorophenyl)urea?
The InChIKey is ZAYQAOSWJKYKRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2N3OS/c15-8-4-6-9(7-5-8)18-14(20)19-11-3-1-2-10(16)12(11)13(17)21/h1-7H,(H2,17,21)(H2,18,19,20).
What are the key properties of 1-(2-carbamothioyl-3-fluorophenyl)-3-(4-fluorophenyl)urea?
1-(2-carbamothioyl-3-fluorophenyl)-3-(4-fluorophenyl)urea has a molecular weight of 307.32 g/mol, XLogP of 3.24, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-carbamothioyl-3-fluorophenyl)-3-(4-fluorophenyl)urea is sourced from PubChem (CID 43581005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).