1-cyclopentyl-1-[(4-fluorophenyl)methyl]-3-methylthiourea

C14H19FN2S — CID 3417353

IUPAC1-cyclopentyl-1-[(4-fluorophenyl)methyl]-3-methylthiourea
SMILESCNC(=S)N(Cc1ccc(F)cc1)C1CCCC1
InChIInChI=1S/C14H19FN2S/c1-16-14(18)17(13-4-2-3-5-13)10-11-6-8-12(15)9-7-11/h6-9,13H,2-5,10H2,1H3,(H,16,18)
InChIKeyGGENWUZMJOHZBT-UHFFFAOYSA-N
MW266.38 g/mol
LogP3.07
Rot. Bonds3

About 1-cyclopentyl-1-[(4-fluorophenyl)methyl]-3-methylthiourea

1-cyclopentyl-1-[(4-fluorophenyl)methyl]-3-methylthiourea (PubChem CID 3417353) has the molecular formula C14H19FN2S and a molecular weight of 266.38 g/mol. Its IUPAC name is 1-cyclopentyl-1-[(4-fluorophenyl)methyl]-3-methylthiourea.

Molecular Properties

Compound Name1-cyclopentyl-1-[(4-fluorophenyl)methyl]-3-methylthiourea
PubChem CID3417353
Molecular FormulaC14H19FN2S
Molecular Weight266.38 g/mol
Exact Mass266.13
IUPAC Name1-cyclopentyl-1-[(4-fluorophenyl)methyl]-3-methylthiourea
SMILESCNC(=S)N(Cc1ccc(F)cc1)C1CCCC1
InChIInChI=1S/C14H19FN2S/c1-16-14(18)17(13-4-2-3-5-13)10-11-6-8-12(15)9-7-11/h6-9,13H,2-5,10H2,1H3,(H,16,18)
InChIKeyGGENWUZMJOHZBT-UHFFFAOYSA-N
XLogP3.07
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-cyclopentyl-1-[(4-fluorophenyl)methyl]-3-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

1-cyclopentyl-3-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]thiourea
CID 3369865
N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-(methylamino)acetamide
CID 119688726
2-[[2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]amino]-N-methylacetamide
CID 8772654
methyl 2-[cyclopentyl-[(4-fluorophenyl)methyl]amino]acetate
CID 79006293
2-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-methylpropanamide
CID 114328092
N-[2-(2-chlorophenyl)ethyl]-2-[[cyclohexyl-[(4-fluorophenyl)methyl]carbamothioyl]amino]acetamide
CID 46371665
1-[(3,4-dimethoxyphenyl)methyl]-1-[(4-fluorophenyl)methyl]-3-methylthiourea
CID 3436752
2-[cyclobutyl-[(4-fluorophenyl)methyl]amino]ethanol
CID 102676667
1-cyclopropyl-3-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]thiourea
CID 71893762
N-cyclopentyl-N-ethyl-2-(4-fluorophenyl)acetamide
CID 86926966
N-[(4-fluorophenyl)methyl]-N-[4-[4-(methylaminomethyl)phenyl]cyclohexyl]acetamide
CID 19381473
N-cyclopropyl-2-(ethylamino)-N-[(4-fluorophenyl)methyl]-2-methylpropanamide
CID 62836250

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-1-[(4-fluorophenyl)methyl]-3-methylthiourea?
The IUPAC name of 1-cyclopentyl-1-[(4-fluorophenyl)methyl]-3-methylthiourea (CID 3417353) is 1-cyclopentyl-1-[(4-fluorophenyl)methyl]-3-methylthiourea.
What is the SMILES notation for 1-cyclopentyl-1-[(4-fluorophenyl)methyl]-3-methylthiourea?
The canonical SMILES for 1-cyclopentyl-1-[(4-fluorophenyl)methyl]-3-methylthiourea is CNC(=S)N(Cc1ccc(F)cc1)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-1-[(4-fluorophenyl)methyl]-3-methylthiourea?
The InChIKey is GGENWUZMJOHZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2S/c1-16-14(18)17(13-4-2-3-5-13)10-11-6-8-12(15)9-7-11/h6-9,13H,2-5,10H2,1H3,(H,16,18).
What are the key properties of 1-cyclopentyl-1-[(4-fluorophenyl)methyl]-3-methylthiourea?
1-cyclopentyl-1-[(4-fluorophenyl)methyl]-3-methylthiourea has a molecular weight of 266.38 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-1-[(4-fluorophenyl)methyl]-3-methylthiourea is sourced from PubChem (CID 3417353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).