1-cyclopentyl-3-[1-(3,4-dimethylphenyl)ethyl]thiourea

C16H24N2S — CID 19675012

IUPAC1-cyclopentyl-3-[1-(3,4-dimethylphenyl)ethyl]thiourea
SMILESCc1ccc(C(C)NC(=S)NC2CCCC2)cc1C
InChIInChI=1S/C16H24N2S/c1-11-8-9-14(10-12(11)2)13(3)17-16(19)18-15-6-4-5-7-15/h8-10,13,15H,4-7H2,1-3H3,(H2,17,18,19)
InChIKeyCSYJAAARIVDHHE-UHFFFAOYSA-N
MW276.45 g/mol
LogP3.77
Rot. Bonds3

About 1-cyclopentyl-3-[1-(3,4-dimethylphenyl)ethyl]thiourea

1-cyclopentyl-3-[1-(3,4-dimethylphenyl)ethyl]thiourea (PubChem CID 19675012) has the molecular formula C16H24N2S and a molecular weight of 276.45 g/mol. Its IUPAC name is 1-cyclopentyl-3-[1-(3,4-dimethylphenyl)ethyl]thiourea.

Molecular Properties

Compound Name1-cyclopentyl-3-[1-(3,4-dimethylphenyl)ethyl]thiourea
PubChem CID19675012
Molecular FormulaC16H24N2S
Molecular Weight276.45 g/mol
Exact Mass276.17
IUPAC Name1-cyclopentyl-3-[1-(3,4-dimethylphenyl)ethyl]thiourea
SMILESCc1ccc(C(C)NC(=S)NC2CCCC2)cc1C
InChIInChI=1S/C16H24N2S/c1-11-8-9-14(10-12(11)2)13(3)17-16(19)18-15-6-4-5-7-15/h8-10,13,15H,4-7H2,1-3H3,(H2,17,18,19)
InChIKeyCSYJAAARIVDHHE-UHFFFAOYSA-N
XLogP3.77
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 53.77
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-cyclopropyl-3-[1-(3,4-dimethylphenyl)ethyl]thiourea
CID 19675013
1-cyclohexyl-3-(1-phenylethyl)thiourea
CID 2788079
1-cyclohexyl-3-[(1S)-1-phenylethyl]thiourea
CID 724020
1-(4-cyclopentyloxyphenyl)-3-[(1R)-1-(3,4-dimethylphenyl)ethyl]thiourea
CID 100730197
1-(4-cyclopentyloxyphenyl)-3-[1-(3,4-dimethylphenyl)ethyl]thiourea
CID 133216431
1-[1-(3,4-dimethylphenyl)ethyl]-3-(2-methylpropyl)thiourea
CID 19675009
1-cyclopropyl-3-[1-(4-ethylphenyl)ethyl]thiourea
CID 19675096
1-[1-(3,4-dimethylphenyl)ethyl]-3-phenylthiourea
CID 19674967
1-cyclopentyl-3-[1-(1H-pyrazol-4-yl)ethyl]thiourea
CID 106217389
1-[1-(4-butan-2-ylphenyl)propyl]-3-cyclohexylthiourea
CID 19675584
1-(1-methylpiperidin-4-yl)-3-[(1S)-1-naphthalen-2-ylethyl]thiourea
CID 97201030
1-[1-(3,4-dimethylphenyl)ethyl]-3-(4-ethoxyphenyl)thiourea
CID 19675005

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[1-(3,4-dimethylphenyl)ethyl]thiourea?
The IUPAC name of 1-cyclopentyl-3-[1-(3,4-dimethylphenyl)ethyl]thiourea (CID 19675012) is 1-cyclopentyl-3-[1-(3,4-dimethylphenyl)ethyl]thiourea.
What is the SMILES notation for 1-cyclopentyl-3-[1-(3,4-dimethylphenyl)ethyl]thiourea?
The canonical SMILES for 1-cyclopentyl-3-[1-(3,4-dimethylphenyl)ethyl]thiourea is Cc1ccc(C(C)NC(=S)NC2CCCC2)cc1C.
What is the InChIKey of 1-cyclopentyl-3-[1-(3,4-dimethylphenyl)ethyl]thiourea?
The InChIKey is CSYJAAARIVDHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2S/c1-11-8-9-14(10-12(11)2)13(3)17-16(19)18-15-6-4-5-7-15/h8-10,13,15H,4-7H2,1-3H3,(H2,17,18,19).
What are the key properties of 1-cyclopentyl-3-[1-(3,4-dimethylphenyl)ethyl]thiourea?
1-cyclopentyl-3-[1-(3,4-dimethylphenyl)ethyl]thiourea has a molecular weight of 276.45 g/mol, XLogP of 3.77, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[1-(3,4-dimethylphenyl)ethyl]thiourea is sourced from PubChem (CID 19675012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).