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

C16H24N2OS — CID 8726213

IUPAC1-cyclohexyl-3-[2-(2-methoxyphenyl)ethyl]thiourea
SMILESCOc1ccccc1CCNC(=S)NC1CCCCC1
InChIInChI=1S/C16H24N2OS/c1-19-15-10-6-5-7-13(15)11-12-17-16(20)18-14-8-3-2-4-9-14/h5-7,10,14H,2-4,8-9,11-12H2,1H3,(H2,17,18,20)
InChIKeyMDOZBBAUSLVRAL-UHFFFAOYSA-N
MW292.45 g/mol
LogP3.03
Rot. Bonds5

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

1-cyclohexyl-3-[2-(2-methoxyphenyl)ethyl]thiourea (PubChem CID 8726213) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is 1-cyclohexyl-3-[2-(2-methoxyphenyl)ethyl]thiourea.

Molecular Properties

Compound Name1-cyclohexyl-3-[2-(2-methoxyphenyl)ethyl]thiourea
PubChem CID8726213
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC Name1-cyclohexyl-3-[2-(2-methoxyphenyl)ethyl]thiourea
SMILESCOc1ccccc1CCNC(=S)NC1CCCCC1
InChIInChI=1S/C16H24N2OS/c1-19-15-10-6-5-7-13(15)11-12-17-16(20)18-14-8-3-2-4-9-14/h5-7,10,14H,2-4,8-9,11-12H2,1H3,(H2,17,18,20)
InChIKeyMDOZBBAUSLVRAL-UHFFFAOYSA-N
XLogP3.03
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 53.03
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-(2-methoxyphenyl)ethyl]thiourea with MolForge

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

Launch Full Analysis

Related Compounds

N-cyclohexyl-3-[2-(2-methoxyphenyl)ethylamino]propanamide
CID 109013977
1-cyclododecyl-3-(2-phenylethyl)thiourea
CID 17298455
1-cyclohexyl-3-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]thiourea
CID 9239860
2-[[(cyclopentylamino)-[2-(2-methoxyphenyl)ethylamino]methylidene]amino]-N,N-dimethylacetamide
CID 111841832
1-[2-(2-methoxyphenyl)ethyl]-3-(2-methylpropyl)thiourea
CID 19649703
N-cyclohexyl-5-[2-(2-methoxyphenyl)ethylamino]pyrazine-2-carboxamide
CID 109274671
6-(cyclohexylamino)-N-[2-(2-methoxyphenyl)ethyl]-2-methylpyrimidine-4-carboxamide
CID 109363807
(3R,6S)-1-acetyl-6-(cyclopentylamino)-N-[2-(2-methoxyphenyl)ethyl]azepane-3-carboxamide
CID 171386219
1-cyclohexyl-3-[2-(5-fluoro-2-methoxyphenyl)ethyl]urea
CID 110775679
1-(3,5-dimethoxyphenyl)-3-[2-(2-methoxyphenyl)ethyl]thiourea
CID 17298438
1-(1-hydroxy-2,2-dimethylpropyl)-3-[2-(2-methoxyphenyl)ethyl]thiourea
CID 22639980
3-cyclopentyl-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 78779689

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[2-(2-methoxyphenyl)ethyl]thiourea?
The IUPAC name of 1-cyclohexyl-3-[2-(2-methoxyphenyl)ethyl]thiourea (CID 8726213) is 1-cyclohexyl-3-[2-(2-methoxyphenyl)ethyl]thiourea.
What is the SMILES notation for 1-cyclohexyl-3-[2-(2-methoxyphenyl)ethyl]thiourea?
The canonical SMILES for 1-cyclohexyl-3-[2-(2-methoxyphenyl)ethyl]thiourea is COc1ccccc1CCNC(=S)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[2-(2-methoxyphenyl)ethyl]thiourea?
The InChIKey is MDOZBBAUSLVRAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-19-15-10-6-5-7-13(15)11-12-17-16(20)18-14-8-3-2-4-9-14/h5-7,10,14H,2-4,8-9,11-12H2,1H3,(H2,17,18,20).
What are the key properties of 1-cyclohexyl-3-[2-(2-methoxyphenyl)ethyl]thiourea?
1-cyclohexyl-3-[2-(2-methoxyphenyl)ethyl]thiourea has a molecular weight of 292.45 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[2-(2-methoxyphenyl)ethyl]thiourea is sourced from PubChem (CID 8726213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).