1-(3-methoxyphenyl)-3-(1-thiophen-2-ylcyclopentyl)thiourea

C17H20N2OS2 — CID 100766082

IUPAC1-(3-methoxyphenyl)-3-(1-thiophen-2-ylcyclopentyl)thiourea
SMILESCOc1cccc(NC(=S)NC2(c3cccs3)CCCC2)c1
InChIInChI=1S/C17H20N2OS2/c1-20-14-7-4-6-13(12-14)18-16(21)19-17(9-2-3-10-17)15-8-5-11-22-15/h4-8,11-12H,2-3,9-10H2,1H3,(H2,18,19,21)
InChIKeyUVODVXGMMAQIBZ-UHFFFAOYSA-N
MW332.49 g/mol
LogP4.51
Rot. Bonds4

About 1-(3-methoxyphenyl)-3-(1-thiophen-2-ylcyclopentyl)thiourea

1-(3-methoxyphenyl)-3-(1-thiophen-2-ylcyclopentyl)thiourea (PubChem CID 100766082) has the molecular formula C17H20N2OS2 and a molecular weight of 332.49 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-3-(1-thiophen-2-ylcyclopentyl)thiourea.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-3-(1-thiophen-2-ylcyclopentyl)thiourea
PubChem CID100766082
Molecular FormulaC17H20N2OS2
Molecular Weight332.49 g/mol
Exact Mass332.10
IUPAC Name1-(3-methoxyphenyl)-3-(1-thiophen-2-ylcyclopentyl)thiourea
SMILESCOc1cccc(NC(=S)NC2(c3cccs3)CCCC2)c1
InChIInChI=1S/C17H20N2OS2/c1-20-14-7-4-6-13(12-14)18-16(21)19-17(9-2-3-10-17)15-8-5-11-22-15/h4-8,11-12H,2-3,9-10H2,1H3,(H2,18,19,21)
InChIKeyUVODVXGMMAQIBZ-UHFFFAOYSA-N
XLogP4.51
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 54.51
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
1-[1-(2-chlorophenyl)cyclopentyl]-3-(3-methoxyphenyl)thiourea
CID 100766026
methyl 2-methyl-3-[(1-thiophen-2-ylcyclopentyl)carbamothioylamino]benzoate
CID 100769087
methyl 3-[[1-(4-methoxyphenyl)cyclopentyl]carbamothioylamino]benzoate
CID 100769976
1-(3-methoxyphenyl)-3-(thiophene-2-carbonylamino)thiourea
CID 8000996
1-(3-ethoxyphenyl)-3-[1-(4-methylphenyl)cyclopentyl]thiourea
CID 100769861
1-(3-methoxyphenyl)-3-(4-methoxyphenyl)thiourea
CID 976451
1-(4-methoxyphenyl)-3-(1-phenylcyclopentyl)thiourea
CID 100766125
1-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(3-methoxyphenyl)thiourea
CID 2477457
1-(3-methylphenyl)-3-[1-(4-methylphenyl)cyclopentyl]thiourea
CID 100764603
1-[1-(4-methoxyphenyl)cyclopentyl]-3-[3-(2-oxopyrrolidin-1-yl)phenyl]thiourea
CID 100771647
1-[1-(3,4-dimethoxyphenyl)cyclopentyl]-3-(4-methoxyphenyl)thiourea
CID 100766167

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-3-(1-thiophen-2-ylcyclopentyl)thiourea?
The IUPAC name of 1-(3-methoxyphenyl)-3-(1-thiophen-2-ylcyclopentyl)thiourea (CID 100766082) is 1-(3-methoxyphenyl)-3-(1-thiophen-2-ylcyclopentyl)thiourea.
What is the SMILES notation for 1-(3-methoxyphenyl)-3-(1-thiophen-2-ylcyclopentyl)thiourea?
The canonical SMILES for 1-(3-methoxyphenyl)-3-(1-thiophen-2-ylcyclopentyl)thiourea is COc1cccc(NC(=S)NC2(c3cccs3)CCCC2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-3-(1-thiophen-2-ylcyclopentyl)thiourea?
The InChIKey is UVODVXGMMAQIBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS2/c1-20-14-7-4-6-13(12-14)18-16(21)19-17(9-2-3-10-17)15-8-5-11-22-15/h4-8,11-12H,2-3,9-10H2,1H3,(H2,18,19,21).
What are the key properties of 1-(3-methoxyphenyl)-3-(1-thiophen-2-ylcyclopentyl)thiourea?
1-(3-methoxyphenyl)-3-(1-thiophen-2-ylcyclopentyl)thiourea has a molecular weight of 332.49 g/mol, XLogP of 4.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-3-(1-thiophen-2-ylcyclopentyl)thiourea is sourced from PubChem (CID 100766082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).