1-cyclopentyl-3-(4-methylphenyl)thiourea

C13H18N2S — CID 826710

IUPAC1-cyclopentyl-3-(4-methylphenyl)thiourea
SMILESCc1ccc(NC(=S)NC2CCCC2)cc1
InChIInChI=1S/C13H18N2S/c1-10-6-8-12(9-7-10)15-13(16)14-11-4-2-3-5-11/h6-9,11H,2-5H2,1H3,(H2,14,15,16)
InChIKeyQJUXIXUKPFVNKL-UHFFFAOYSA-N
MW234.37 g/mol
LogP3.22
Rot. Bonds2

About 1-cyclopentyl-3-(4-methylphenyl)thiourea

1-cyclopentyl-3-(4-methylphenyl)thiourea (PubChem CID 826710) has the molecular formula C13H18N2S and a molecular weight of 234.37 g/mol. Its IUPAC name is 1-cyclopentyl-3-(4-methylphenyl)thiourea.

Molecular Properties

Compound Name1-cyclopentyl-3-(4-methylphenyl)thiourea
PubChem CID826710
Molecular FormulaC13H18N2S
Molecular Weight234.37 g/mol
Exact Mass234.12
IUPAC Name1-cyclopentyl-3-(4-methylphenyl)thiourea
SMILESCc1ccc(NC(=S)NC2CCCC2)cc1
InChIInChI=1S/C13H18N2S/c1-10-6-8-12(9-7-10)15-13(16)14-11-4-2-3-5-11/h6-9,11H,2-5H2,1H3,(H2,14,15,16)
InChIKeyQJUXIXUKPFVNKL-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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Related Compounds

N-(2-Methylphenyl)thiourea
CID 2787703
Thiourea, (3-methylphenyl)-
CID 701727
1-Allyl-3-phenyl-2-thiourea
CID 1549745
1-Methyl-3-phenylthiourea
CID 698294
3,4-Dihydro-4,4,6-trimethyl-1-(2-methylphenyl)-2(1H)-pyrimidinethione
CID 3034175
Methiuron
CID 3034319
N-(2-Phenylethyl)-N'-phenylthiourea
CID 2760335
p-Tolylthiourea
CID 722833
Krm-iii
CID 736689
1-Cyclohexyl-3-(P-tolyl)urea
CID 280350
1,5-diphenyl-1H-imidazole-2-thiol
CID 807871
1-Phenyl-3-propyl-2-thiourea
CID 2760408

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(4-methylphenyl)thiourea?
The IUPAC name of 1-cyclopentyl-3-(4-methylphenyl)thiourea (CID 826710) is 1-cyclopentyl-3-(4-methylphenyl)thiourea.
What is the SMILES notation for 1-cyclopentyl-3-(4-methylphenyl)thiourea?
The canonical SMILES for 1-cyclopentyl-3-(4-methylphenyl)thiourea is Cc1ccc(NC(=S)NC2CCCC2)cc1.
What is the InChIKey of 1-cyclopentyl-3-(4-methylphenyl)thiourea?
The InChIKey is QJUXIXUKPFVNKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2S/c1-10-6-8-12(9-7-10)15-13(16)14-11-4-2-3-5-11/h6-9,11H,2-5H2,1H3,(H2,14,15,16).
What are the key properties of 1-cyclopentyl-3-(4-methylphenyl)thiourea?
1-cyclopentyl-3-(4-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-(4-methylphenyl)thiourea is sourced from PubChem (CID 826710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).