1-(3-methylcyclopentyl)-3-naphthalen-1-ylthiourea

C17H20N2S — CID 114550506

IUPAC1-(3-methylcyclopentyl)-3-naphthalen-1-ylthiourea
SMILESCC1CCC(NC(=S)Nc2cccc3ccccc23)C1
InChIInChI=1S/C17H20N2S/c1-12-9-10-14(11-12)18-17(20)19-16-8-4-6-13-5-2-3-7-15(13)16/h2-8,12,14H,9-11H2,1H3,(H2,18,19,20)
InChIKeyQRBUYGGRRWAUKY-UHFFFAOYSA-N
MW284.43 g/mol
LogP4.31
Rot. Bonds2

About 1-(3-methylcyclopentyl)-3-naphthalen-1-ylthiourea

1-(3-methylcyclopentyl)-3-naphthalen-1-ylthiourea (PubChem CID 114550506) has the molecular formula C17H20N2S and a molecular weight of 284.43 g/mol. Its IUPAC name is 1-(3-methylcyclopentyl)-3-naphthalen-1-ylthiourea.

Molecular Properties

Compound Name1-(3-methylcyclopentyl)-3-naphthalen-1-ylthiourea
PubChem CID114550506
Molecular FormulaC17H20N2S
Molecular Weight284.43 g/mol
Exact Mass284.13
IUPAC Name1-(3-methylcyclopentyl)-3-naphthalen-1-ylthiourea
SMILESCC1CCC(NC(=S)Nc2cccc3ccccc23)C1
InChIInChI=1S/C17H20N2S/c1-12-9-10-14(11-12)18-17(20)19-16-8-4-6-13-5-2-3-7-15(13)16/h2-8,12,14H,9-11H2,1H3,(H2,18,19,20)
InChIKeyQRBUYGGRRWAUKY-UHFFFAOYSA-N
XLogP4.31
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 54.31
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-(2-chlorophenyl)-3-(3-methylcyclopentyl)thiourea
CID 114550499
N-(3-methylcyclopentyl)-2-naphthalen-1-ylacetamide
CID 114549688
1-(2-fluorophenyl)-3-(4-methylcyclohexyl)thiourea
CID 5053738
1-cyclopropyl-3-isoquinolin-5-ylthiourea
CID 27012724
1-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-3-naphthalen-1-ylthiourea
CID 1372712
N-(naphthalen-1-ylcarbamothioyl)cyclopropanecarboxamide
CID 916713
N-(naphthalen-1-ylcarbamothioyl)butanamide
CID 916625
N-(2,5-dimethylcyclohexyl)naphthalen-1-amine
CID 64776146
1-(3-fluoro-2-methylphenyl)-3-naphthalen-1-ylthiourea
CID 977420
1-naphthalen-1-yl-3-phenylthiourea
CID 828128
1-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-naphthalen-1-ylthiourea
CID 19676566
1-[(1-ethylpyrrolidin-2-yl)methyl]-3-naphthalen-1-ylthiourea
CID 71903120

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylcyclopentyl)-3-naphthalen-1-ylthiourea?
The IUPAC name of 1-(3-methylcyclopentyl)-3-naphthalen-1-ylthiourea (CID 114550506) is 1-(3-methylcyclopentyl)-3-naphthalen-1-ylthiourea.
What is the SMILES notation for 1-(3-methylcyclopentyl)-3-naphthalen-1-ylthiourea?
The canonical SMILES for 1-(3-methylcyclopentyl)-3-naphthalen-1-ylthiourea is CC1CCC(NC(=S)Nc2cccc3ccccc23)C1.
What is the InChIKey of 1-(3-methylcyclopentyl)-3-naphthalen-1-ylthiourea?
The InChIKey is QRBUYGGRRWAUKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2S/c1-12-9-10-14(11-12)18-17(20)19-16-8-4-6-13-5-2-3-7-15(13)16/h2-8,12,14H,9-11H2,1H3,(H2,18,19,20).
What are the key properties of 1-(3-methylcyclopentyl)-3-naphthalen-1-ylthiourea?
1-(3-methylcyclopentyl)-3-naphthalen-1-ylthiourea has a molecular weight of 284.43 g/mol, XLogP of 4.31, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylcyclopentyl)-3-naphthalen-1-ylthiourea is sourced from PubChem (CID 114550506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).