1-(1-cyclopentylethyl)-3-phenylthiourea

C14H20N2S — CID 113235708

IUPAC1-(1-cyclopentylethyl)-3-phenylthiourea
SMILESCC(NC(=S)Nc1ccccc1)C1CCCC1
InChIInChI=1S/C14H20N2S/c1-11(12-7-5-6-8-12)15-14(17)16-13-9-3-2-4-10-13/h2-4,9-12H,5-8H2,1H3,(H2,15,16,17)
InChIKeyBTYKBFCSAWACRK-UHFFFAOYSA-N
MW248.40 g/mol
LogP3.55
Rot. Bonds3

About 1-(1-cyclopentylethyl)-3-phenylthiourea

1-(1-cyclopentylethyl)-3-phenylthiourea (PubChem CID 113235708) has the molecular formula C14H20N2S and a molecular weight of 248.40 g/mol. Its IUPAC name is 1-(1-cyclopentylethyl)-3-phenylthiourea.

Molecular Properties

Compound Name1-(1-cyclopentylethyl)-3-phenylthiourea
PubChem CID113235708
Molecular FormulaC14H20N2S
Molecular Weight248.40 g/mol
Exact Mass248.13
IUPAC Name1-(1-cyclopentylethyl)-3-phenylthiourea
SMILESCC(NC(=S)Nc1ccccc1)C1CCCC1
InChIInChI=1S/C14H20N2S/c1-11(12-7-5-6-8-12)15-14(17)16-13-9-3-2-4-10-13/h2-4,9-12H,5-8H2,1H3,(H2,15,16,17)
InChIKeyBTYKBFCSAWACRK-UHFFFAOYSA-N
XLogP3.55
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.40
LogP ≤ 53.55
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-[(1S)-1-cyclohexylethyl]-3-(4-methylphenyl)thiourea
CID 162350823
1-(3-chloro-4-fluorophenyl)-3-[(1S)-1-cyclohexylethyl]thiourea
CID 42645366
1-cycloheptyl-3-phenylthiourea
CID 4085620
1-[(2S)-3-methylbutan-2-yl]-3-phenylthiourea
CID 89162476
1-(3-methylbutan-2-yl)-3-phenylthiourea
CID 76615108
2-[[(1R)-1-cyclohexylethyl]amino]-N-phenylpropanamide
CID 81385584
2-(1-cyclohexylethylamino)-N-phenylpropanamide
CID 62407888
N-(1-cyclobutylethyl)aniline
CID 58933203
1-[(1R)-1-cyclohexylethyl]-3-(1,3-thiazol-2-yl)thiourea
CID 3002367
1-[(1S)-1-cyclohexylethyl]-3-[diethoxyphosphoryl(phenyl)methyl]thiourea
CID 25223659
1-[(1R)-1-phenylethyl]-3-[4-[[(1R)-1-phenylethyl]carbamothioylamino]phenyl]thiourea
CID 27527330
1-cyclohexyl-3-(1-cyclopropylethyl)thiourea
CID 115573118

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopentylethyl)-3-phenylthiourea?
The IUPAC name of 1-(1-cyclopentylethyl)-3-phenylthiourea (CID 113235708) is 1-(1-cyclopentylethyl)-3-phenylthiourea.
What is the SMILES notation for 1-(1-cyclopentylethyl)-3-phenylthiourea?
The canonical SMILES for 1-(1-cyclopentylethyl)-3-phenylthiourea is CC(NC(=S)Nc1ccccc1)C1CCCC1.
What is the InChIKey of 1-(1-cyclopentylethyl)-3-phenylthiourea?
The InChIKey is BTYKBFCSAWACRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2S/c1-11(12-7-5-6-8-12)15-14(17)16-13-9-3-2-4-10-13/h2-4,9-12H,5-8H2,1H3,(H2,15,16,17).
What are the key properties of 1-(1-cyclopentylethyl)-3-phenylthiourea?
1-(1-cyclopentylethyl)-3-phenylthiourea has a molecular weight of 248.40 g/mol, XLogP of 3.55, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopentylethyl)-3-phenylthiourea is sourced from PubChem (CID 113235708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).