1-[1-(2-chlorophenyl)cyclopentyl]-3-(3-methoxyphenyl)thiourea

C19H21ClN2OS — CID 100766026

IUPAC1-[1-(2-chlorophenyl)cyclopentyl]-3-(3-methoxyphenyl)thiourea
SMILESCOc1cccc(NC(=S)NC2(c3ccccc3Cl)CCCC2)c1
InChIInChI=1S/C19H21ClN2OS/c1-23-15-8-6-7-14(13-15)21-18(24)22-19(11-4-5-12-19)16-9-2-3-10-17(16)20/h2-3,6-10,13H,4-5,11-12H2,1H3,(H2,21,22,24)
InChIKeyRXBWWKKEAFQCRL-UHFFFAOYSA-N
MW360.91 g/mol
LogP5.10
Rot. Bonds4

About 1-[1-(2-chlorophenyl)cyclopentyl]-3-(3-methoxyphenyl)thiourea

1-[1-(2-chlorophenyl)cyclopentyl]-3-(3-methoxyphenyl)thiourea (PubChem CID 100766026) has the molecular formula C19H21ClN2OS and a molecular weight of 360.91 g/mol. Its IUPAC name is 1-[1-(2-chlorophenyl)cyclopentyl]-3-(3-methoxyphenyl)thiourea.

Molecular Properties

Compound Name1-[1-(2-chlorophenyl)cyclopentyl]-3-(3-methoxyphenyl)thiourea
PubChem CID100766026
Molecular FormulaC19H21ClN2OS
Molecular Weight360.91 g/mol
Exact Mass360.11
IUPAC Name1-[1-(2-chlorophenyl)cyclopentyl]-3-(3-methoxyphenyl)thiourea
SMILESCOc1cccc(NC(=S)NC2(c3ccccc3Cl)CCCC2)c1
InChIInChI=1S/C19H21ClN2OS/c1-23-15-8-6-7-14(13-15)21-18(24)22-19(11-4-5-12-19)16-9-2-3-10-17(16)20/h2-3,6-10,13H,4-5,11-12H2,1H3,(H2,21,22,24)
InChIKeyRXBWWKKEAFQCRL-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-[1-(2-chlorophenyl)cyclopentyl]-3-(3-fluorophenyl)thiourea
CID 100768085
1-(3-methoxyphenyl)-3-(1-pyridin-4-ylcyclopentyl)thiourea
CID 100766059
1-(3-methoxyphenyl)-3-(1-thiophen-2-ylcyclopentyl)thiourea
CID 100766082
1-[1-(2-chlorophenyl)cyclopentyl]-3-(2,5-dimethylphenyl)thiourea
CID 100764935
1-[(1R)-1-(2-chlorophenyl)ethyl]-3-(3-methoxyphenyl)thiourea
CID 8629064
1-(4-methoxyphenyl)-3-(1-phenylcyclopentyl)thiourea
CID 100766125
methyl 3-[[1-(4-methoxyphenyl)cyclopentyl]carbamothioylamino]benzoate
CID 100769976
1-(4-bromo-3-chlorophenyl)-3-(3-methoxyphenyl)thiourea
CID 19687608
1-(3-chloro-2-methylphenyl)-3-[(3-methoxyphenyl)carbamothioylamino]thiourea
CID 8658991
1-(4-chlorophenyl)-3-[1-(4-methoxyphenyl)cyclopentyl]thiourea
CID 100765643
1-(3-ethoxyphenyl)-3-[1-(4-methylphenyl)cyclopentyl]thiourea
CID 100769861
1-(3-methoxyphenyl)-3-(4-methoxyphenyl)thiourea
CID 976451

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-chlorophenyl)cyclopentyl]-3-(3-methoxyphenyl)thiourea?
The IUPAC name of 1-[1-(2-chlorophenyl)cyclopentyl]-3-(3-methoxyphenyl)thiourea (CID 100766026) is 1-[1-(2-chlorophenyl)cyclopentyl]-3-(3-methoxyphenyl)thiourea.
What is the SMILES notation for 1-[1-(2-chlorophenyl)cyclopentyl]-3-(3-methoxyphenyl)thiourea?
The canonical SMILES for 1-[1-(2-chlorophenyl)cyclopentyl]-3-(3-methoxyphenyl)thiourea is COc1cccc(NC(=S)NC2(c3ccccc3Cl)CCCC2)c1.
What is the InChIKey of 1-[1-(2-chlorophenyl)cyclopentyl]-3-(3-methoxyphenyl)thiourea?
The InChIKey is RXBWWKKEAFQCRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2OS/c1-23-15-8-6-7-14(13-15)21-18(24)22-19(11-4-5-12-19)16-9-2-3-10-17(16)20/h2-3,6-10,13H,4-5,11-12H2,1H3,(H2,21,22,24).
What are the key properties of 1-[1-(2-chlorophenyl)cyclopentyl]-3-(3-methoxyphenyl)thiourea?
1-[1-(2-chlorophenyl)cyclopentyl]-3-(3-methoxyphenyl)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-[1-(2-chlorophenyl)cyclopentyl]-3-(3-methoxyphenyl)thiourea is sourced from PubChem (CID 100766026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).