1-(2-chlorophenyl)-3-(3-methylcyclopentyl)thiourea

C13H17ClN2S — CID 114550499

IUPAC1-(2-chlorophenyl)-3-(3-methylcyclopentyl)thiourea
SMILESCC1CCC(NC(=S)Nc2ccccc2Cl)C1
InChIInChI=1S/C13H17ClN2S/c1-9-6-7-10(8-9)15-13(17)16-12-5-3-2-4-11(12)14/h2-5,9-10H,6-8H2,1H3,(H2,15,16,17)
InChIKeyHPRZCOGHOHUGQD-UHFFFAOYSA-N
MW268.81 g/mol
LogP3.82
Rot. Bonds2

About 1-(2-chlorophenyl)-3-(3-methylcyclopentyl)thiourea

1-(2-chlorophenyl)-3-(3-methylcyclopentyl)thiourea (PubChem CID 114550499) has the molecular formula C13H17ClN2S and a molecular weight of 268.81 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-(3-methylcyclopentyl)thiourea.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-(3-methylcyclopentyl)thiourea
PubChem CID114550499
Molecular FormulaC13H17ClN2S
Molecular Weight268.81 g/mol
Exact Mass268.08
IUPAC Name1-(2-chlorophenyl)-3-(3-methylcyclopentyl)thiourea
SMILESCC1CCC(NC(=S)Nc2ccccc2Cl)C1
InChIInChI=1S/C13H17ClN2S/c1-9-6-7-10(8-9)15-13(17)16-12-5-3-2-4-11(12)14/h2-5,9-10H,6-8H2,1H3,(H2,15,16,17)
InChIKeyHPRZCOGHOHUGQD-UHFFFAOYSA-N
XLogP3.82
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.81
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(2-chlorophenyl)-3-(3-methylcyclopentyl)thiourea 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-(3-methylcyclopentyl)-3-naphthalen-1-ylthiourea
CID 114550506
1-(2-chlorophenyl)-3-[(1S,5S)-8-cyclopropyl-8-azabicyclo[3.2.1]octan-3-yl]thiourea
CID 98109889
1-(2-chlorophenyl)-3-(1-ethylpiperidin-4-yl)thiourea
CID 17282493
1-(2-fluorophenyl)-3-(4-methylcyclohexyl)thiourea
CID 5053738
1-(2-chlorophenyl)-3-[(1S,5S)-9-cyclopropyl-9-azabicyclo[3.3.1]nonan-3-yl]thiourea
CID 1461288
1-(2-chlorophenyl)-3-[(1R,5R)-9-cyclopentyl-9-azoniabicyclo[3.3.1]nonan-3-yl]thiourea
CID 50938087
1-(2,3-dichlorophenyl)-3-(3,3,5-trimethylcyclohexyl)thiourea
CID 19652642
2-(2-chlorophenyl)-N-(3-methylcyclopentyl)acetamide
CID 114549493
1-(3-chloro-2-methylphenyl)-3-cyclododecylthiourea
CID 2730972
2-amino-3-chloro-N-(3-methylcyclopentyl)benzamide
CID 114542613
ethyl 4-[(2-chlorophenyl)carbamothioylamino]piperidine-1-carboxylate
CID 3869393
1-(2-chlorophenyl)-3-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]thiourea
CID 6596704

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-(3-methylcyclopentyl)thiourea?
The IUPAC name of 1-(2-chlorophenyl)-3-(3-methylcyclopentyl)thiourea (CID 114550499) is 1-(2-chlorophenyl)-3-(3-methylcyclopentyl)thiourea.
What is the SMILES notation for 1-(2-chlorophenyl)-3-(3-methylcyclopentyl)thiourea?
The canonical SMILES for 1-(2-chlorophenyl)-3-(3-methylcyclopentyl)thiourea is CC1CCC(NC(=S)Nc2ccccc2Cl)C1.
What is the InChIKey of 1-(2-chlorophenyl)-3-(3-methylcyclopentyl)thiourea?
The InChIKey is HPRZCOGHOHUGQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2S/c1-9-6-7-10(8-9)15-13(17)16-12-5-3-2-4-11(12)14/h2-5,9-10H,6-8H2,1H3,(H2,15,16,17).
What are the key properties of 1-(2-chlorophenyl)-3-(3-methylcyclopentyl)thiourea?
1-(2-chlorophenyl)-3-(3-methylcyclopentyl)thiourea has a molecular weight of 268.81 g/mol, XLogP of 3.82, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-(3-methylcyclopentyl)thiourea is sourced from PubChem (CID 114550499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).