1-cyclopentyl-3-(2,4-dimethylphenyl)thiourea

C14H20N2S — CID 799918

IUPAC1-cyclopentyl-3-(2,4-dimethylphenyl)thiourea
SMILESCc1ccc(NC(=S)NC2CCCC2)c(C)c1
InChIInChI=1S/C14H20N2S/c1-10-7-8-13(11(2)9-10)16-14(17)15-12-5-3-4-6-12/h7-9,12H,3-6H2,1-2H3,(H2,15,16,17)
InChIKeyYBCMFEJAAHOTDD-UHFFFAOYSA-N
MW248.39 g/mol
LogP3.53
Rot. Bonds2

About 1-cyclopentyl-3-(2,4-dimethylphenyl)thiourea

1-cyclopentyl-3-(2,4-dimethylphenyl)thiourea (PubChem CID 799918) has the molecular formula C14H20N2S and a molecular weight of 248.39 g/mol. Its IUPAC name is 1-cyclopentyl-3-(2,4-dimethylphenyl)thiourea.

Molecular Properties

Compound Name1-cyclopentyl-3-(2,4-dimethylphenyl)thiourea
PubChem CID799918
Molecular FormulaC14H20N2S
Molecular Weight248.39 g/mol
Exact Mass248.13
IUPAC Name1-cyclopentyl-3-(2,4-dimethylphenyl)thiourea
SMILESCc1ccc(NC(=S)NC2CCCC2)c(C)c1
InChIInChI=1S/C14H20N2S/c1-10-7-8-13(11(2)9-10)16-14(17)15-12-5-3-4-6-12/h7-9,12H,3-6H2,1-2H3,(H2,15,16,17)
InChIKeyYBCMFEJAAHOTDD-UHFFFAOYSA-N
XLogP3.53
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 53.53
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
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
1-(2-Hydroxyethyl)-3-(2,4-xylyl)-2-thiourea
CID 1810978
N-(2,4,6-Trimethylphenyl)thiourea
CID 2731118
1-(4-Tert.-butylphenyl)-2-thiourea
CID 2765754
Thiourea, N-phenyl-N'-(3-phenylpropyl)-
CID 3549496
1,3-Bis(o-tolyl)thiourea
CID 688028
3,4-Dihydro-4,4,6-trimethyl-1-(4-methylphenyl)-2(1H)-pyrimidinethione
CID 704292
N,N'-Bis(4-methylphenyl)thiourea
CID 688021

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(2,4-dimethylphenyl)thiourea?
The IUPAC name of 1-cyclopentyl-3-(2,4-dimethylphenyl)thiourea (CID 799918) is 1-cyclopentyl-3-(2,4-dimethylphenyl)thiourea.
What is the SMILES notation for 1-cyclopentyl-3-(2,4-dimethylphenyl)thiourea?
The canonical SMILES for 1-cyclopentyl-3-(2,4-dimethylphenyl)thiourea is Cc1ccc(NC(=S)NC2CCCC2)c(C)c1.
What is the InChIKey of 1-cyclopentyl-3-(2,4-dimethylphenyl)thiourea?
The InChIKey is YBCMFEJAAHOTDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2S/c1-10-7-8-13(11(2)9-10)16-14(17)15-12-5-3-4-6-12/h7-9,12H,3-6H2,1-2H3,(H2,15,16,17).
What are the key properties of 1-cyclopentyl-3-(2,4-dimethylphenyl)thiourea?
1-cyclopentyl-3-(2,4-dimethylphenyl)thiourea has a molecular weight of 248.39 g/mol, XLogP of 3.53, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(2,4-dimethylphenyl)thiourea is sourced from PubChem (CID 799918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).