3-cyclopropyl-1-(2-fluorophenyl)-1-methylthiourea

C11H13FN2S — CID 116508220

IUPAC3-cyclopropyl-1-(2-fluorophenyl)-1-methylthiourea
SMILESCN(C(=S)NC1CC1)c1ccccc1F
InChIInChI=1S/C11H13FN2S/c1-14(11(15)13-8-6-7-8)10-5-3-2-4-9(10)12/h2-5,8H,6-7H2,1H3,(H,13,15)
InChIKeyBWYOCPPEJFSECO-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.30
Rot. Bonds2

About 3-cyclopropyl-1-(2-fluorophenyl)-1-methylthiourea

3-cyclopropyl-1-(2-fluorophenyl)-1-methylthiourea (PubChem CID 116508220) has the molecular formula C11H13FN2S and a molecular weight of 224.30 g/mol. Its IUPAC name is 3-cyclopropyl-1-(2-fluorophenyl)-1-methylthiourea.

Molecular Properties

Compound Name3-cyclopropyl-1-(2-fluorophenyl)-1-methylthiourea
PubChem CID116508220
Molecular FormulaC11H13FN2S
Molecular Weight224.30 g/mol
Exact Mass224.08
IUPAC Name3-cyclopropyl-1-(2-fluorophenyl)-1-methylthiourea
SMILESCN(C(=S)NC1CC1)c1ccccc1F
InChIInChI=1S/C11H13FN2S/c1-14(11(15)13-8-6-7-8)10-5-3-2-4-9(10)12/h2-5,8H,6-7H2,1H3,(H,13,15)
InChIKeyBWYOCPPEJFSECO-UHFFFAOYSA-N
XLogP2.30
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-cyclopropyl-1-(2-fluorophenyl)-1-methylthiourea 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

3-cyclohexyl-1-(2-fluorophenyl)-1-methylurea;hydrochloride
CID 174490608
3-cyclopropyl-1-(2-fluorophenyl)-1-hydroxyurea
CID 12782787
2-[[(2-fluorophenyl)-methylcarbamoyl]amino]cyclohexane-1-carboxylic acid
CID 64816362
N-(2-fluorophenyl)-4-hydroxy-N-methylcyclohexane-1-carboxamide
CID 115150795
1-(2-fluorophenyl)-3-(4-methylcyclohexyl)thiourea
CID 5053738
N-cyclopropyl-2-fluoro-N-methylaniline;hydrochloride
CID 138393814
methyl 2-[cyclopropylcarbamoyl(methyl)amino]benzoate
CID 62700811
1-cyclopentyl-3-[3-(2-fluoro-N-methylanilino)propyl]urea
CID 60544274
6-[(cyclopropylamino)methyl]-N-(2-fluorophenyl)-N-methylpyridin-2-amine
CID 62294639
5-[(cyclopropylamino)methyl]-N-(2-fluorophenyl)-N-methylpyrazin-2-amine
CID 107379625
4-[[(2-fluorophenyl)-methylcarbamoyl]amino]cyclopent-2-ene-1-carboxylic acid
CID 79216504
2-(cyclopropylamino)-4-(2-fluoro-N-methylanilino)butanoic acid
CID 55145096

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(2-fluorophenyl)-1-methylthiourea?
The IUPAC name of 3-cyclopropyl-1-(2-fluorophenyl)-1-methylthiourea (CID 116508220) is 3-cyclopropyl-1-(2-fluorophenyl)-1-methylthiourea.
What is the SMILES notation for 3-cyclopropyl-1-(2-fluorophenyl)-1-methylthiourea?
The canonical SMILES for 3-cyclopropyl-1-(2-fluorophenyl)-1-methylthiourea is CN(C(=S)NC1CC1)c1ccccc1F.
What is the InChIKey of 3-cyclopropyl-1-(2-fluorophenyl)-1-methylthiourea?
The InChIKey is BWYOCPPEJFSECO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2S/c1-14(11(15)13-8-6-7-8)10-5-3-2-4-9(10)12/h2-5,8H,6-7H2,1H3,(H,13,15).
What are the key properties of 3-cyclopropyl-1-(2-fluorophenyl)-1-methylthiourea?
3-cyclopropyl-1-(2-fluorophenyl)-1-methylthiourea has a molecular weight of 224.30 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(2-fluorophenyl)-1-methylthiourea is sourced from PubChem (CID 116508220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).