1-(3-chloro-4-methoxyphenyl)-3-(1-pyridin-4-ylcyclopentyl)thiourea

C18H20ClN3OS — CID 100767724

IUPAC1-(3-chloro-4-methoxyphenyl)-3-(1-pyridin-4-ylcyclopentyl)thiourea
SMILESCOc1ccc(NC(=S)NC2(c3ccncc3)CCCC2)cc1Cl
InChIInChI=1S/C18H20ClN3OS/c1-23-16-5-4-14(12-15(16)19)21-17(24)22-18(8-2-3-9-18)13-6-10-20-11-7-13/h4-7,10-12H,2-3,8-9H2,1H3,(H2,21,22,24)
InChIKeyMJWFLEIPWZMUNQ-UHFFFAOYSA-N
MW361.90 g/mol
LogP4.50
Rot. Bonds4

About 1-(3-chloro-4-methoxyphenyl)-3-(1-pyridin-4-ylcyclopentyl)thiourea

1-(3-chloro-4-methoxyphenyl)-3-(1-pyridin-4-ylcyclopentyl)thiourea (PubChem CID 100767724) has the molecular formula C18H20ClN3OS and a molecular weight of 361.90 g/mol. Its IUPAC name is 1-(3-chloro-4-methoxyphenyl)-3-(1-pyridin-4-ylcyclopentyl)thiourea.

Molecular Properties

Compound Name1-(3-chloro-4-methoxyphenyl)-3-(1-pyridin-4-ylcyclopentyl)thiourea
PubChem CID100767724
Molecular FormulaC18H20ClN3OS
Molecular Weight361.90 g/mol
Exact Mass361.10
IUPAC Name1-(3-chloro-4-methoxyphenyl)-3-(1-pyridin-4-ylcyclopentyl)thiourea
SMILESCOc1ccc(NC(=S)NC2(c3ccncc3)CCCC2)cc1Cl
InChIInChI=1S/C18H20ClN3OS/c1-23-16-5-4-14(12-15(16)19)21-17(24)22-18(8-2-3-9-18)13-6-10-20-11-7-13/h4-7,10-12H,2-3,8-9H2,1H3,(H2,21,22,24)
InChIKeyMJWFLEIPWZMUNQ-UHFFFAOYSA-N
XLogP4.50
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.90
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-methoxyphenyl)-3-(1-pyridin-4-ylcyclopentyl)thiourea
CID 100766059
ethyl 2-chloro-4-[(1-pyridin-4-ylcyclopentyl)carbamothioylamino]benzoate
CID 100770838
1-(3,5-dimethylphenyl)-3-(1-pyridin-4-ylcyclopentyl)thiourea
CID 100765080
1-[1-(3,4-dimethoxyphenyl)cyclopentyl]-3-(4-methoxyphenyl)thiourea
CID 100766167
1-(3,4-difluorophenyl)-3-[1-(3,4-dimethoxyphenyl)cyclopentyl]thiourea
CID 100769470
1-(4-chlorophenyl)-3-[1-(4-methoxyphenyl)cyclopentyl]thiourea
CID 100765643
1-(4-methoxyphenyl)-3-(1-phenylcyclopentyl)thiourea
CID 100766125
1-(3-chloro-4-methoxyphenyl)-3-[1-[2-(3-methylphenyl)ethyl]cyclopentyl]thiourea
CID 100767770
1-(4-chlorophenyl)-3-(1-phenylcyclopentyl)thiourea
CID 100765608
1-(3-chloro-4-methoxyphenyl)-3-(3-chlorophenyl)thiourea
CID 19677525
1-(2,4-dimethoxyphenyl)-3-[1-(4-methoxyphenyl)cyclopentyl]thiourea
CID 100766554
1-(3-chloro-4-methoxyphenyl)-N-methylcyclohexan-1-amine
CID 82298649

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methoxyphenyl)-3-(1-pyridin-4-ylcyclopentyl)thiourea?
The IUPAC name of 1-(3-chloro-4-methoxyphenyl)-3-(1-pyridin-4-ylcyclopentyl)thiourea (CID 100767724) is 1-(3-chloro-4-methoxyphenyl)-3-(1-pyridin-4-ylcyclopentyl)thiourea.
What is the SMILES notation for 1-(3-chloro-4-methoxyphenyl)-3-(1-pyridin-4-ylcyclopentyl)thiourea?
The canonical SMILES for 1-(3-chloro-4-methoxyphenyl)-3-(1-pyridin-4-ylcyclopentyl)thiourea is COc1ccc(NC(=S)NC2(c3ccncc3)CCCC2)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methoxyphenyl)-3-(1-pyridin-4-ylcyclopentyl)thiourea?
The InChIKey is MJWFLEIPWZMUNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3OS/c1-23-16-5-4-14(12-15(16)19)21-17(24)22-18(8-2-3-9-18)13-6-10-20-11-7-13/h4-7,10-12H,2-3,8-9H2,1H3,(H2,21,22,24).
What are the key properties of 1-(3-chloro-4-methoxyphenyl)-3-(1-pyridin-4-ylcyclopentyl)thiourea?
1-(3-chloro-4-methoxyphenyl)-3-(1-pyridin-4-ylcyclopentyl)thiourea has a molecular weight of 361.90 g/mol, XLogP of 4.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methoxyphenyl)-3-(1-pyridin-4-ylcyclopentyl)thiourea is sourced from PubChem (CID 100767724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).