1-(4-chlorophenyl)-3-[1-(4-methoxyphenyl)cyclopentyl]thiourea

C19H21ClN2OS — CID 100765643

IUPAC1-(4-chlorophenyl)-3-[1-(4-methoxyphenyl)cyclopentyl]thiourea
SMILESCOc1ccc(C2(NC(=S)Nc3ccc(Cl)cc3)CCCC2)cc1
InChIInChI=1S/C19H21ClN2OS/c1-23-17-10-4-14(5-11-17)19(12-2-3-13-19)22-18(24)21-16-8-6-15(20)7-9-16/h4-11H,2-3,12-13H2,1H3,(H2,21,22,24)
InChIKeyKOCZMJFOFVYHBK-UHFFFAOYSA-N
MW360.91 g/mol
LogP5.10
Rot. Bonds4

About 1-(4-chlorophenyl)-3-[1-(4-methoxyphenyl)cyclopentyl]thiourea

1-(4-chlorophenyl)-3-[1-(4-methoxyphenyl)cyclopentyl]thiourea (PubChem CID 100765643) has the molecular formula C19H21ClN2OS and a molecular weight of 360.91 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[1-(4-methoxyphenyl)cyclopentyl]thiourea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[1-(4-methoxyphenyl)cyclopentyl]thiourea
PubChem CID100765643
Molecular FormulaC19H21ClN2OS
Molecular Weight360.91 g/mol
Exact Mass360.11
IUPAC Name1-(4-chlorophenyl)-3-[1-(4-methoxyphenyl)cyclopentyl]thiourea
SMILESCOc1ccc(C2(NC(=S)Nc3ccc(Cl)cc3)CCCC2)cc1
InChIInChI=1S/C19H21ClN2OS/c1-23-17-10-4-14(5-11-17)19(12-2-3-13-19)22-18(24)21-16-8-6-15(20)7-9-16/h4-11H,2-3,12-13H2,1H3,(H2,21,22,24)
InChIKeyKOCZMJFOFVYHBK-UHFFFAOYSA-N
XLogP5.10
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.91
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methoxyphenyl)-3-(1-phenylcyclopentyl)thiourea
CID 100766125
1-(4-ethylphenyl)-3-[1-(4-methoxyphenyl)cyclopentyl]thiourea
CID 100766912
1-[1-(3,4-dimethoxyphenyl)cyclopentyl]-3-(4-methoxyphenyl)thiourea
CID 100766167
1-(4-chlorophenyl)-3-(1-phenylcyclopentyl)thiourea
CID 100765608
1-(2,4-dimethoxyphenyl)-3-[1-(4-methoxyphenyl)cyclopentyl]thiourea
CID 100766554
methyl 3-[[1-(4-methoxyphenyl)cyclopentyl]carbamothioylamino]benzoate
CID 100769976
1-(3-chloro-4-fluorophenyl)-3-[1-(4-methylphenyl)cyclopentyl]thiourea
CID 100768468
1-(3-chloro-4-methoxyphenyl)-3-(1-pyridin-4-ylcyclopentyl)thiourea
CID 100767724
1-(4-chloroanilino)-3-(4-methoxyphenyl)thiourea
CID 8619679
1-(3-methoxyphenyl)-3-(1-pyridin-4-ylcyclopentyl)thiourea
CID 100766059
1-(4-bromo-3-chlorophenyl)-3-[1-(4-ethoxyphenyl)cyclopentyl]thiourea
CID 100769265
1-[1-(4-methoxyphenyl)cyclopentyl]-3-[3-(2-oxopyrrolidin-1-yl)phenyl]thiourea
CID 100771647

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[1-(4-methoxyphenyl)cyclopentyl]thiourea?
The IUPAC name of 1-(4-chlorophenyl)-3-[1-(4-methoxyphenyl)cyclopentyl]thiourea (CID 100765643) is 1-(4-chlorophenyl)-3-[1-(4-methoxyphenyl)cyclopentyl]thiourea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[1-(4-methoxyphenyl)cyclopentyl]thiourea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[1-(4-methoxyphenyl)cyclopentyl]thiourea is COc1ccc(C2(NC(=S)Nc3ccc(Cl)cc3)CCCC2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[1-(4-methoxyphenyl)cyclopentyl]thiourea?
The InChIKey is KOCZMJFOFVYHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2OS/c1-23-17-10-4-14(5-11-17)19(12-2-3-13-19)22-18(24)21-16-8-6-15(20)7-9-16/h4-11H,2-3,12-13H2,1H3,(H2,21,22,24).
What are the key properties of 1-(4-chlorophenyl)-3-[1-(4-methoxyphenyl)cyclopentyl]thiourea?
1-(4-chlorophenyl)-3-[1-(4-methoxyphenyl)cyclopentyl]thiourea has a molecular weight of 360.91 g/mol, XLogP of 5.10, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[1-(4-methoxyphenyl)cyclopentyl]thiourea is sourced from PubChem (CID 100765643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).