1-cyclopentyl-3-(2-methylphenyl)thiourea

C13H18N2S — CID 886247

IUPAC1-cyclopentyl-3-(2-methylphenyl)thiourea
SMILESCc1ccccc1NC(=S)NC1CCCC1
InChIInChI=1S/C13H18N2S/c1-10-6-2-5-9-12(10)15-13(16)14-11-7-3-4-8-11/h2,5-6,9,11H,3-4,7-8H2,1H3,(H2,14,15,16)
InChIKeyGJPLRZBCCJMNTM-UHFFFAOYSA-N
MW234.37 g/mol
LogP3.22
Rot. Bonds2

About 1-cyclopentyl-3-(2-methylphenyl)thiourea

1-cyclopentyl-3-(2-methylphenyl)thiourea (PubChem CID 886247) has the molecular formula C13H18N2S and a molecular weight of 234.37 g/mol. Its IUPAC name is 1-cyclopentyl-3-(2-methylphenyl)thiourea.

Molecular Properties

Compound Name1-cyclopentyl-3-(2-methylphenyl)thiourea
PubChem CID886247
Molecular FormulaC13H18N2S
Molecular Weight234.37 g/mol
Exact Mass234.12
IUPAC Name1-cyclopentyl-3-(2-methylphenyl)thiourea
SMILESCc1ccccc1NC(=S)NC1CCCC1
InChIInChI=1S/C13H18N2S/c1-10-6-2-5-9-12(10)15-13(16)14-11-7-3-4-8-11/h2,5-6,9,11H,3-4,7-8H2,1H3,(H2,14,15,16)
InChIKeyGJPLRZBCCJMNTM-UHFFFAOYSA-N
XLogP3.22
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.37
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(2-methylphenyl)thiourea?
The IUPAC name of 1-cyclopentyl-3-(2-methylphenyl)thiourea (CID 886247) is 1-cyclopentyl-3-(2-methylphenyl)thiourea.
What is the SMILES notation for 1-cyclopentyl-3-(2-methylphenyl)thiourea?
The canonical SMILES for 1-cyclopentyl-3-(2-methylphenyl)thiourea is Cc1ccccc1NC(=S)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-(2-methylphenyl)thiourea?
The InChIKey is GJPLRZBCCJMNTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2S/c1-10-6-2-5-9-12(10)15-13(16)14-11-7-3-4-8-11/h2,5-6,9,11H,3-4,7-8H2,1H3,(H2,14,15,16).
What are the key properties of 1-cyclopentyl-3-(2-methylphenyl)thiourea?
1-cyclopentyl-3-(2-methylphenyl)thiourea has a molecular weight of 234.37 g/mol, XLogP of 3.22, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(2-methylphenyl)thiourea is sourced from PubChem (CID 886247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).