1-(4-cyclohexylphenyl)-3-cyclopentylthiourea

C18H26N2S — CID 146036224

IUPAC1-(4-cyclohexylphenyl)-3-cyclopentylthiourea
SMILESS=C(Nc1ccc(C2CCCCC2)cc1)NC1CCCC1
InChIInChI=1S/C18H26N2S/c21-18(19-16-8-4-5-9-16)20-17-12-10-15(11-13-17)14-6-2-1-3-7-14/h10-14,16H,1-9H2,(H2,19,20,21)
InChIKeyJRBNTLXPADHFDA-UHFFFAOYSA-N
MW302.49 g/mol
LogP4.96
Rot. Bonds3

About 1-(4-cyclohexylphenyl)-3-cyclopentylthiourea

1-(4-cyclohexylphenyl)-3-cyclopentylthiourea (PubChem CID 146036224) has the molecular formula C18H26N2S and a molecular weight of 302.49 g/mol. Its IUPAC name is 1-(4-cyclohexylphenyl)-3-cyclopentylthiourea.

Molecular Properties

Compound Name1-(4-cyclohexylphenyl)-3-cyclopentylthiourea
PubChem CID146036224
Molecular FormulaC18H26N2S
Molecular Weight302.49 g/mol
Exact Mass302.18
IUPAC Name1-(4-cyclohexylphenyl)-3-cyclopentylthiourea
SMILESS=C(Nc1ccc(C2CCCCC2)cc1)NC1CCCC1
InChIInChI=1S/C18H26N2S/c21-18(19-16-8-4-5-9-16)20-17-12-10-15(11-13-17)14-6-2-1-3-7-14/h10-14,16H,1-9H2,(H2,19,20,21)
InChIKeyJRBNTLXPADHFDA-UHFFFAOYSA-N
XLogP4.96
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.49
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclohexylphenyl)-3-cyclopentylthiourea?
The IUPAC name of 1-(4-cyclohexylphenyl)-3-cyclopentylthiourea (CID 146036224) is 1-(4-cyclohexylphenyl)-3-cyclopentylthiourea.
What is the SMILES notation for 1-(4-cyclohexylphenyl)-3-cyclopentylthiourea?
The canonical SMILES for 1-(4-cyclohexylphenyl)-3-cyclopentylthiourea is S=C(Nc1ccc(C2CCCCC2)cc1)NC1CCCC1.
What is the InChIKey of 1-(4-cyclohexylphenyl)-3-cyclopentylthiourea?
The InChIKey is JRBNTLXPADHFDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2S/c21-18(19-16-8-4-5-9-16)20-17-12-10-15(11-13-17)14-6-2-1-3-7-14/h10-14,16H,1-9H2,(H2,19,20,21).
What are the key properties of 1-(4-cyclohexylphenyl)-3-cyclopentylthiourea?
1-(4-cyclohexylphenyl)-3-cyclopentylthiourea has a molecular weight of 302.49 g/mol, XLogP of 4.96, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclohexylphenyl)-3-cyclopentylthiourea is sourced from PubChem (CID 146036224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).