1-(4-methylphenyl)-3-[1-(3-methylphenyl)cyclopentyl]thiourea

C20H24N2S — CID 100764726

IUPAC1-(4-methylphenyl)-3-[1-(3-methylphenyl)cyclopentyl]thiourea
SMILESCc1ccc(NC(=S)NC2(c3cccc(C)c3)CCCC2)cc1
InChIInChI=1S/C20H24N2S/c1-15-8-10-18(11-9-15)21-19(23)22-20(12-3-4-13-20)17-7-5-6-16(2)14-17/h5-11,14H,3-4,12-13H2,1-2H3,(H2,21,22,23)
InChIKeyKGHWUPLVSHKSLK-UHFFFAOYSA-N
MW324.49 g/mol
LogP5.06
Rot. Bonds3

About 1-(4-methylphenyl)-3-[1-(3-methylphenyl)cyclopentyl]thiourea

1-(4-methylphenyl)-3-[1-(3-methylphenyl)cyclopentyl]thiourea (PubChem CID 100764726) has the molecular formula C20H24N2S and a molecular weight of 324.49 g/mol. Its IUPAC name is 1-(4-methylphenyl)-3-[1-(3-methylphenyl)cyclopentyl]thiourea.

Molecular Properties

Compound Name1-(4-methylphenyl)-3-[1-(3-methylphenyl)cyclopentyl]thiourea
PubChem CID100764726
Molecular FormulaC20H24N2S
Molecular Weight324.49 g/mol
Exact Mass324.17
IUPAC Name1-(4-methylphenyl)-3-[1-(3-methylphenyl)cyclopentyl]thiourea
SMILESCc1ccc(NC(=S)NC2(c3cccc(C)c3)CCCC2)cc1
InChIInChI=1S/C20H24N2S/c1-15-8-10-18(11-9-15)21-19(23)22-20(12-3-4-13-20)17-7-5-6-16(2)14-17/h5-11,14H,3-4,12-13H2,1-2H3,(H2,21,22,23)
InChIKeyKGHWUPLVSHKSLK-UHFFFAOYSA-N
XLogP5.06
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.49
LogP ≤ 55.06
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-(4-bromophenyl)-3-[1-(3-methylphenyl)cyclopentyl]thiourea
CID 100765878
1-(3-methylphenyl)-3-[1-(4-methylphenyl)cyclopentyl]thiourea
CID 100764603
1-[4-(cyanomethyl)phenyl]-3-[1-(3-methylphenyl)cyclopentyl]thiourea
CID 100767555
1-[1-(3-methylphenyl)cyclopentyl]-3-pyridin-3-ylthiourea
CID 100772383
1-(3-methoxy-2-pyridinyl)-3-[1-(3-methylphenyl)cyclopentyl]thiourea
CID 100772660
1-(3-chloro-4-fluorophenyl)-3-[1-(4-methylphenyl)cyclopentyl]thiourea
CID 100768468
1-(3-ethoxyphenyl)-3-[1-(4-methylphenyl)cyclopentyl]thiourea
CID 100769861
1-(4-bromophenyl)-3-(1-phenylcyclopentyl)thiourea
CID 100765866
1-(4-chlorophenyl)-3-(1-phenylcyclopentyl)thiourea
CID 100765608
1-(4-methoxyphenyl)-3-(1-phenylcyclopentyl)thiourea
CID 100766125
1-[3-(trifluoromethyl)phenyl]-3-[1-[3-(trifluoromethyl)phenyl]cyclopentyl]thiourea
CID 100766675
1-(3,5-dimethylphenyl)-3-(1-pyridin-4-ylcyclopentyl)thiourea
CID 100765080

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-3-[1-(3-methylphenyl)cyclopentyl]thiourea?
The IUPAC name of 1-(4-methylphenyl)-3-[1-(3-methylphenyl)cyclopentyl]thiourea (CID 100764726) is 1-(4-methylphenyl)-3-[1-(3-methylphenyl)cyclopentyl]thiourea.
What is the SMILES notation for 1-(4-methylphenyl)-3-[1-(3-methylphenyl)cyclopentyl]thiourea?
The canonical SMILES for 1-(4-methylphenyl)-3-[1-(3-methylphenyl)cyclopentyl]thiourea is Cc1ccc(NC(=S)NC2(c3cccc(C)c3)CCCC2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-3-[1-(3-methylphenyl)cyclopentyl]thiourea?
The InChIKey is KGHWUPLVSHKSLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2S/c1-15-8-10-18(11-9-15)21-19(23)22-20(12-3-4-13-20)17-7-5-6-16(2)14-17/h5-11,14H,3-4,12-13H2,1-2H3,(H2,21,22,23).
What are the key properties of 1-(4-methylphenyl)-3-[1-(3-methylphenyl)cyclopentyl]thiourea?
1-(4-methylphenyl)-3-[1-(3-methylphenyl)cyclopentyl]thiourea has a molecular weight of 324.49 g/mol, XLogP of 5.06, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-3-[1-(3-methylphenyl)cyclopentyl]thiourea is sourced from PubChem (CID 100764726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).