1-[1-(2-chlorophenyl)cyclopentyl]-3-(2,5-dimethylphenyl)thiourea

C20H23ClN2S — CID 100764935

IUPAC1-[1-(2-chlorophenyl)cyclopentyl]-3-(2,5-dimethylphenyl)thiourea
SMILESCc1ccc(C)c(NC(=S)NC2(c3ccccc3Cl)CCCC2)c1
InChIInChI=1S/C20H23ClN2S/c1-14-9-10-15(2)18(13-14)22-19(24)23-20(11-5-6-12-20)16-7-3-4-8-17(16)21/h3-4,7-10,13H,5-6,11-12H2,1-2H3,(H2,22,23,24)
InChIKeyKCQDUUWEQRZKIR-UHFFFAOYSA-N
MW358.94 g/mol
LogP5.71
Rot. Bonds3

About 1-[1-(2-chlorophenyl)cyclopentyl]-3-(2,5-dimethylphenyl)thiourea

1-[1-(2-chlorophenyl)cyclopentyl]-3-(2,5-dimethylphenyl)thiourea (PubChem CID 100764935) has the molecular formula C20H23ClN2S and a molecular weight of 358.94 g/mol. Its IUPAC name is 1-[1-(2-chlorophenyl)cyclopentyl]-3-(2,5-dimethylphenyl)thiourea.

Molecular Properties

Compound Name1-[1-(2-chlorophenyl)cyclopentyl]-3-(2,5-dimethylphenyl)thiourea
PubChem CID100764935
Molecular FormulaC20H23ClN2S
Molecular Weight358.94 g/mol
Exact Mass358.13
IUPAC Name1-[1-(2-chlorophenyl)cyclopentyl]-3-(2,5-dimethylphenyl)thiourea
SMILESCc1ccc(C)c(NC(=S)NC2(c3ccccc3Cl)CCCC2)c1
InChIInChI=1S/C20H23ClN2S/c1-14-9-10-15(2)18(13-14)22-19(24)23-20(11-5-6-12-20)16-7-3-4-8-17(16)21/h3-4,7-10,13H,5-6,11-12H2,1-2H3,(H2,22,23,24)
InChIKeyKCQDUUWEQRZKIR-UHFFFAOYSA-N
XLogP5.71
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.94
LogP ≤ 55.71
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

1-[1-(2-chlorophenyl)cyclopentyl]-3-(3-fluorophenyl)thiourea
CID 100768085
1-[1-(2-chlorophenyl)cyclopentyl]-3-(3-methoxyphenyl)thiourea
CID 100766026
1-(2-chloro-4-fluorophenyl)-3-(2,5-dimethylphenyl)thiourea
CID 53489310
1-(4-methylphenyl)-3-[1-(3-methylphenyl)cyclopentyl]thiourea
CID 100764726
1-(3-methylphenyl)-3-[1-(4-methylphenyl)cyclopentyl]thiourea
CID 100764603
1-(2-chlorophenyl)-3-(2-hydroxy-5-methylphenyl)thiourea
CID 17285028
1-(3-chloro-4-fluorophenyl)-3-[1-(4-methylphenyl)cyclopentyl]thiourea
CID 100768468
1-cyclooctyl-3-(2,5-dimethylphenyl)thiourea
CID 19650520
1-N-(2,3-dichlorophenyl)-1-N'-(2,5-dimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981367
1-(2,4-dimethylphenyl)-3-(1-propan-2-ylcyclopentyl)thiourea
CID 100764876
methyl 3-[[1-(furan-2-yl)cyclopentyl]carbamothioylamino]-4-methylbenzoate
CID 100768414
1-(2,4-dimethylphenyl)-3-[1-(2-phenylethyl)cyclopentyl]thiourea
CID 100764895

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-chlorophenyl)cyclopentyl]-3-(2,5-dimethylphenyl)thiourea?
The IUPAC name of 1-[1-(2-chlorophenyl)cyclopentyl]-3-(2,5-dimethylphenyl)thiourea (CID 100764935) is 1-[1-(2-chlorophenyl)cyclopentyl]-3-(2,5-dimethylphenyl)thiourea.
What is the SMILES notation for 1-[1-(2-chlorophenyl)cyclopentyl]-3-(2,5-dimethylphenyl)thiourea?
The canonical SMILES for 1-[1-(2-chlorophenyl)cyclopentyl]-3-(2,5-dimethylphenyl)thiourea is Cc1ccc(C)c(NC(=S)NC2(c3ccccc3Cl)CCCC2)c1.
What is the InChIKey of 1-[1-(2-chlorophenyl)cyclopentyl]-3-(2,5-dimethylphenyl)thiourea?
The InChIKey is KCQDUUWEQRZKIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2S/c1-14-9-10-15(2)18(13-14)22-19(24)23-20(11-5-6-12-20)16-7-3-4-8-17(16)21/h3-4,7-10,13H,5-6,11-12H2,1-2H3,(H2,22,23,24).
What are the key properties of 1-[1-(2-chlorophenyl)cyclopentyl]-3-(2,5-dimethylphenyl)thiourea?
1-[1-(2-chlorophenyl)cyclopentyl]-3-(2,5-dimethylphenyl)thiourea has a molecular weight of 358.94 g/mol, XLogP of 5.71, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-chlorophenyl)cyclopentyl]-3-(2,5-dimethylphenyl)thiourea is sourced from PubChem (CID 100764935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).