1-cyclohexyl-3-[(2-methoxyphenyl)methyl]thiourea

C15H22N2OS — CID 2350005

IUPAC1-cyclohexyl-3-[(2-methoxyphenyl)methyl]thiourea
SMILESCOc1ccccc1CNC(=S)NC1CCCCC1
InChIInChI=1S/C15H22N2OS/c1-18-14-10-6-5-7-12(14)11-16-15(19)17-13-8-3-2-4-9-13/h5-7,10,13H,2-4,8-9,11H2,1H3,(H2,16,17,19)
InChIKeyWJQZRUVUXCVKFW-UHFFFAOYSA-N
MW278.42 g/mol
LogP2.99
Rot. Bonds4

About 1-cyclohexyl-3-[(2-methoxyphenyl)methyl]thiourea

1-cyclohexyl-3-[(2-methoxyphenyl)methyl]thiourea (PubChem CID 2350005) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is 1-cyclohexyl-3-[(2-methoxyphenyl)methyl]thiourea.

Molecular Properties

Compound Name1-cyclohexyl-3-[(2-methoxyphenyl)methyl]thiourea
PubChem CID2350005
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC Name1-cyclohexyl-3-[(2-methoxyphenyl)methyl]thiourea
SMILESCOc1ccccc1CNC(=S)NC1CCCCC1
InChIInChI=1S/C15H22N2OS/c1-18-14-10-6-5-7-12(14)11-16-15(19)17-13-8-3-2-4-9-13/h5-7,10,13H,2-4,8-9,11H2,1H3,(H2,16,17,19)
InChIKeyWJQZRUVUXCVKFW-UHFFFAOYSA-N
XLogP2.99
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-cyclohexyl-3-[(2-methoxyphenyl)methyl]thiourea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[(2-methoxyphenyl)methyl]thiourea?
The IUPAC name of 1-cyclohexyl-3-[(2-methoxyphenyl)methyl]thiourea (CID 2350005) is 1-cyclohexyl-3-[(2-methoxyphenyl)methyl]thiourea.
What is the SMILES notation for 1-cyclohexyl-3-[(2-methoxyphenyl)methyl]thiourea?
The canonical SMILES for 1-cyclohexyl-3-[(2-methoxyphenyl)methyl]thiourea is COc1ccccc1CNC(=S)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[(2-methoxyphenyl)methyl]thiourea?
The InChIKey is WJQZRUVUXCVKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-18-14-10-6-5-7-12(14)11-16-15(19)17-13-8-3-2-4-9-13/h5-7,10,13H,2-4,8-9,11H2,1H3,(H2,16,17,19).
What are the key properties of 1-cyclohexyl-3-[(2-methoxyphenyl)methyl]thiourea?
1-cyclohexyl-3-[(2-methoxyphenyl)methyl]thiourea has a molecular weight of 278.42 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[(2-methoxyphenyl)methyl]thiourea is sourced from PubChem (CID 2350005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).