1-cyclohexyl-3-[(4-ethoxy-3-methoxyphenyl)methylideneamino]thiourea

C17H25N3O2S — CID 4216944

IUPAC1-cyclohexyl-3-[(4-ethoxy-3-methoxyphenyl)methylideneamino]thiourea
SMILESCCOc1ccc(C=NNC(=S)NC2CCCCC2)cc1OC
InChIInChI=1S/C17H25N3O2S/c1-3-22-15-10-9-13(11-16(15)21-2)12-18-20-17(23)19-14-7-5-4-6-8-14/h9-12,14H,3-8H2,1-2H3,(H2,19,20,23)
InChIKeyAAOMUEATACKFPM-UHFFFAOYSA-N
MW335.47 g/mol
LogP3.22
Rot. Bonds6

About 1-cyclohexyl-3-[(4-ethoxy-3-methoxyphenyl)methylideneamino]thiourea

1-cyclohexyl-3-[(4-ethoxy-3-methoxyphenyl)methylideneamino]thiourea (PubChem CID 4216944) has the molecular formula C17H25N3O2S and a molecular weight of 335.47 g/mol. Its IUPAC name is 1-cyclohexyl-3-[(4-ethoxy-3-methoxyphenyl)methylideneamino]thiourea.

Molecular Properties

Compound Name1-cyclohexyl-3-[(4-ethoxy-3-methoxyphenyl)methylideneamino]thiourea
PubChem CID4216944
Molecular FormulaC17H25N3O2S
Molecular Weight335.47 g/mol
Exact Mass335.17
IUPAC Name1-cyclohexyl-3-[(4-ethoxy-3-methoxyphenyl)methylideneamino]thiourea
SMILESCCOc1ccc(C=NNC(=S)NC2CCCCC2)cc1OC
InChIInChI=1S/C17H25N3O2S/c1-3-22-15-10-9-13(11-16(15)21-2)12-18-20-17(23)19-14-7-5-4-6-8-14/h9-12,14H,3-8H2,1-2H3,(H2,19,20,23)
InChIKeyAAOMUEATACKFPM-UHFFFAOYSA-N
XLogP3.22
TPSA54.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 1-cyclohexyl-3-[(4-ethoxy-3-methoxyphenyl)methylideneamino]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

1-cyclohexyl-3-[(3,4-dimethoxyphenyl)methylideneamino]thiourea
CID 717820
1-cyclohexyl-3-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]thiourea
CID 5397037
1-cyclohexyl-3-[(Z)-(3-methoxy-4-propoxyphenyl)methylideneamino]thiourea
CID 7933914
1-cyclohexyl-3-[(3-methoxy-4-pentoxyphenyl)methylideneamino]thiourea
CID 19169990
1-cyclohexyl-3-[(E)-(3-methoxy-4-pentoxyphenyl)methylideneamino]thiourea
CID 98228966
1-cyclohexyl-3-[(Z)-(3-ethoxy-4-propoxyphenyl)methylideneamino]thiourea
CID 112538633
1-[(E)-(4-butoxy-3-ethoxyphenyl)methylideneamino]-3-cyclohexylthiourea
CID 110339920
1-[(Z)-(4-butoxy-3-ethoxyphenyl)methylideneamino]-3-cyclohexylthiourea
CID 112538617
1-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-3-[(1S,2S)-2-methylcyclohexyl]thiourea
CID 9122184
1-[(Z)-[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-3-cyclohexylthiourea
CID 92844135
1-[(E)-[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-3-cyclohexylthiourea
CID 45055337
[4-[(cyclohexylcarbamothioylhydrazinylidene)methyl]-2-methoxyphenyl] 4-propoxybenzoate
CID 4304514

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[(4-ethoxy-3-methoxyphenyl)methylideneamino]thiourea?
The IUPAC name of 1-cyclohexyl-3-[(4-ethoxy-3-methoxyphenyl)methylideneamino]thiourea (CID 4216944) is 1-cyclohexyl-3-[(4-ethoxy-3-methoxyphenyl)methylideneamino]thiourea.
What is the SMILES notation for 1-cyclohexyl-3-[(4-ethoxy-3-methoxyphenyl)methylideneamino]thiourea?
The canonical SMILES for 1-cyclohexyl-3-[(4-ethoxy-3-methoxyphenyl)methylideneamino]thiourea is CCOc1ccc(C=NNC(=S)NC2CCCCC2)cc1OC.
What is the InChIKey of 1-cyclohexyl-3-[(4-ethoxy-3-methoxyphenyl)methylideneamino]thiourea?
The InChIKey is AAOMUEATACKFPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2S/c1-3-22-15-10-9-13(11-16(15)21-2)12-18-20-17(23)19-14-7-5-4-6-8-14/h9-12,14H,3-8H2,1-2H3,(H2,19,20,23).
What are the key properties of 1-cyclohexyl-3-[(4-ethoxy-3-methoxyphenyl)methylideneamino]thiourea?
1-cyclohexyl-3-[(4-ethoxy-3-methoxyphenyl)methylideneamino]thiourea has a molecular weight of 335.47 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[(4-ethoxy-3-methoxyphenyl)methylideneamino]thiourea is sourced from PubChem (CID 4216944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).