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

C15H20FN3OS — CID 61123022

IUPAC1-(1-carbamothioyl-4-methylcyclohexyl)-3-(3-fluorophenyl)urea
SMILESCC1CCC(NC(=O)Nc2cccc(F)c2)(C(N)=S)CC1
InChIInChI=1S/C15H20FN3OS/c1-10-5-7-15(8-6-10,13(17)21)19-14(20)18-12-4-2-3-11(16)9-12/h2-4,9-10H,5-8H2,1H3,(H2,17,21)(H2,18,19,20)
InChIKeyZKCNUROZNAKGJB-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.18
Rot. Bonds3

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

1-(1-carbamothioyl-4-methylcyclohexyl)-3-(3-fluorophenyl)urea (PubChem CID 61123022) has the molecular formula C15H20FN3OS and a molecular weight of 309.41 g/mol. Its IUPAC name is 1-(1-carbamothioyl-4-methylcyclohexyl)-3-(3-fluorophenyl)urea.

Molecular Properties

Compound Name1-(1-carbamothioyl-4-methylcyclohexyl)-3-(3-fluorophenyl)urea
PubChem CID61123022
Molecular FormulaC15H20FN3OS
Molecular Weight309.41 g/mol
Exact Mass309.13
IUPAC Name1-(1-carbamothioyl-4-methylcyclohexyl)-3-(3-fluorophenyl)urea
SMILESCC1CCC(NC(=O)Nc2cccc(F)c2)(C(N)=S)CC1
InChIInChI=1S/C15H20FN3OS/c1-10-5-7-15(8-6-10,13(17)21)19-14(20)18-12-4-2-3-11(16)9-12/h2-4,9-10H,5-8H2,1H3,(H2,17,21)(H2,18,19,20)
InChIKeyZKCNUROZNAKGJB-UHFFFAOYSA-N
XLogP3.18
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(1-carbamothioyl-4-methylcyclohexyl)-3-(3-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-(4-carbamothioyl-1-methylpiperidin-4-yl)-3-(3-fluorophenyl)urea
CID 61123946
N-(1-carbamothioyl-4-methylcyclohexyl)-2,4-difluorobenzamide
CID 61121738
4-methyl-1-[(3-methylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 43341722
1-(1-carbamothioylcyclopentyl)-3-(3-methylphenyl)urea
CID 61122216
1-[(3-fluorophenyl)sulfonylamino]-4-methylcyclohexane-1-carbothioamide
CID 61122276
1-(3-fluoroanilino)-4-methylcycloheptane-1-carboxylic acid
CID 65084949
1-(3-fluoroanilino)-3-methylcyclopentane-1-carboxylic acid
CID 64514036
3-bromo-N-(1-carbamothioyl-4-methylcyclohexyl)benzamide
CID 61121742
N-(1-carbamothioyl-4-methylcyclohexyl)-5-fluoropyridine-3-carboxamide
CID 104785855
1-[1-(aminomethyl)cyclopentyl]-3-(3-fluorophenyl)urea
CID 63767680
1-(1-carbamothioylcyclopentyl)-3-(2,4-difluorophenyl)urea
CID 61123214
N-(1-carbamothioyl-4-methylcyclohexyl)-3-fluoropyridine-4-carboxamide
CID 64949883

Frequently Asked Questions

What is the IUPAC name of 1-(1-carbamothioyl-4-methylcyclohexyl)-3-(3-fluorophenyl)urea?
The IUPAC name of 1-(1-carbamothioyl-4-methylcyclohexyl)-3-(3-fluorophenyl)urea (CID 61123022) is 1-(1-carbamothioyl-4-methylcyclohexyl)-3-(3-fluorophenyl)urea.
What is the SMILES notation for 1-(1-carbamothioyl-4-methylcyclohexyl)-3-(3-fluorophenyl)urea?
The canonical SMILES for 1-(1-carbamothioyl-4-methylcyclohexyl)-3-(3-fluorophenyl)urea is CC1CCC(NC(=O)Nc2cccc(F)c2)(C(N)=S)CC1.
What is the InChIKey of 1-(1-carbamothioyl-4-methylcyclohexyl)-3-(3-fluorophenyl)urea?
The InChIKey is ZKCNUROZNAKGJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3OS/c1-10-5-7-15(8-6-10,13(17)21)19-14(20)18-12-4-2-3-11(16)9-12/h2-4,9-10H,5-8H2,1H3,(H2,17,21)(H2,18,19,20).
What are the key properties of 1-(1-carbamothioyl-4-methylcyclohexyl)-3-(3-fluorophenyl)urea?
1-(1-carbamothioyl-4-methylcyclohexyl)-3-(3-fluorophenyl)urea has a molecular weight of 309.41 g/mol, XLogP of 3.18, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-carbamothioyl-4-methylcyclohexyl)-3-(3-fluorophenyl)urea is sourced from PubChem (CID 61123022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).