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

C15H14FN3OS — CID 107798932

IUPAC1-(2-carbamothioyl-3-methylphenyl)-3-(4-fluorophenyl)urea
SMILESCc1cccc(NC(=O)Nc2ccc(F)cc2)c1C(N)=S
InChIInChI=1S/C15H14FN3OS/c1-9-3-2-4-12(13(9)14(17)21)19-15(20)18-11-7-5-10(16)6-8-11/h2-8H,1H3,(H2,17,21)(H2,18,19,20)
InChIKeyWULUJQZZRZARCW-UHFFFAOYSA-N
MW303.36 g/mol
LogP3.41
Rot. Bonds3

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

1-(2-carbamothioyl-3-methylphenyl)-3-(4-fluorophenyl)urea (PubChem CID 107798932) has the molecular formula C15H14FN3OS and a molecular weight of 303.36 g/mol. Its IUPAC name is 1-(2-carbamothioyl-3-methylphenyl)-3-(4-fluorophenyl)urea.

Molecular Properties

Compound Name1-(2-carbamothioyl-3-methylphenyl)-3-(4-fluorophenyl)urea
PubChem CID107798932
Molecular FormulaC15H14FN3OS
Molecular Weight303.36 g/mol
Exact Mass303.08
IUPAC Name1-(2-carbamothioyl-3-methylphenyl)-3-(4-fluorophenyl)urea
SMILESCc1cccc(NC(=O)Nc2ccc(F)cc2)c1C(N)=S
InChIInChI=1S/C15H14FN3OS/c1-9-3-2-4-12(13(9)14(17)21)19-15(20)18-11-7-5-10(16)6-8-11/h2-8H,1H3,(H2,17,21)(H2,18,19,20)
InChIKeyWULUJQZZRZARCW-UHFFFAOYSA-N
XLogP3.41
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(2-carbamothioyl-3-methylphenyl)-3-(4-fluorophenyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-carbamothioyl-3-fluorophenyl)-3-(4-fluorophenyl)urea
CID 43581005
1-(2-carbamothioyl-3-methylphenyl)-3-(3-chlorophenyl)urea
CID 107798926
(2-carbamothioyl-3-methylphenyl)urea
CID 107798936
N-(2-carbamothioyl-3-methylphenyl)-2,5-difluorobenzamide
CID 107805515
N-(2-carbamothioyl-3-methylphenyl)-2-(2-fluorophenyl)acetamide
CID 107805598
N-(2-carbamothioyl-3-methylphenyl)-3-fluoro-5-methylbenzamide
CID 107805792
N-(2-carbamothioyl-3-methylphenyl)benzamide
CID 107805642
2-[2-[(4-fluorophenyl)carbamoylamino]phenyl]acetamide
CID 90271537
3-(2-carbamothioyl-3-methylphenyl)-1,1-diethylurea
CID 107798930
N-(2-carbamothioyl-3-methylphenyl)-3,5-dihydroxybenzamide
CID 107805537
N-(2-carbamothioyl-3-methylphenyl)cyclohexanecarboxamide
CID 107805800
5-bromo-N-(2-carbamothioyl-3-methylphenyl)-2-fluorobenzamide
CID 107805652

Frequently Asked Questions

What is the IUPAC name of 1-(2-carbamothioyl-3-methylphenyl)-3-(4-fluorophenyl)urea?
The IUPAC name of 1-(2-carbamothioyl-3-methylphenyl)-3-(4-fluorophenyl)urea (CID 107798932) is 1-(2-carbamothioyl-3-methylphenyl)-3-(4-fluorophenyl)urea.
What is the SMILES notation for 1-(2-carbamothioyl-3-methylphenyl)-3-(4-fluorophenyl)urea?
The canonical SMILES for 1-(2-carbamothioyl-3-methylphenyl)-3-(4-fluorophenyl)urea is Cc1cccc(NC(=O)Nc2ccc(F)cc2)c1C(N)=S.
What is the InChIKey of 1-(2-carbamothioyl-3-methylphenyl)-3-(4-fluorophenyl)urea?
The InChIKey is WULUJQZZRZARCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3OS/c1-9-3-2-4-12(13(9)14(17)21)19-15(20)18-11-7-5-10(16)6-8-11/h2-8H,1H3,(H2,17,21)(H2,18,19,20).
What are the key properties of 1-(2-carbamothioyl-3-methylphenyl)-3-(4-fluorophenyl)urea?
1-(2-carbamothioyl-3-methylphenyl)-3-(4-fluorophenyl)urea has a molecular weight of 303.36 g/mol, XLogP of 3.41, 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-methylphenyl)-3-(4-fluorophenyl)urea is sourced from PubChem (CID 107798932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).