3-cyclohexyl-4-hydroxy-5-[(3-methoxyphenyl)iminomethyl]-1,3-thiazole-2-thione

C17H20N2O2S2 — CID 135398836

IUPAC3-cyclohexyl-4-hydroxy-5-[(3-methoxyphenyl)iminomethyl]-1,3-thiazole-2-thione
SMILESCOc1cccc(/N=C/c2sc(=S)n(C3CCCCC3)c2O)c1
InChIInChI=1S/C17H20N2O2S2/c1-21-14-9-5-6-12(10-14)18-11-15-16(20)19(17(22)23-15)13-7-3-2-4-8-13/h5-6,9-11,13,20H,2-4,7-8H2,1H3/b18-11+
InChIKeyJFEHGHSXFYCAFN-WOJGMQOQSA-N
MW348.49 g/mol
LogP5.25
Rot. Bonds4

About 3-cyclohexyl-4-hydroxy-5-[(3-methoxyphenyl)iminomethyl]-1,3-thiazole-2-thione

3-cyclohexyl-4-hydroxy-5-[(3-methoxyphenyl)iminomethyl]-1,3-thiazole-2-thione (PubChem CID 135398836) has the molecular formula C17H20N2O2S2 and a molecular weight of 348.49 g/mol. Its IUPAC name is 3-cyclohexyl-4-hydroxy-5-[(3-methoxyphenyl)iminomethyl]-1,3-thiazole-2-thione.

Molecular Properties

Compound Name3-cyclohexyl-4-hydroxy-5-[(3-methoxyphenyl)iminomethyl]-1,3-thiazole-2-thione
PubChem CID135398836
Molecular FormulaC17H20N2O2S2
Molecular Weight348.49 g/mol
Exact Mass348.10
IUPAC Name3-cyclohexyl-4-hydroxy-5-[(3-methoxyphenyl)iminomethyl]-1,3-thiazole-2-thione
SMILESCOc1cccc(/N=C/c2sc(=S)n(C3CCCCC3)c2O)c1
InChIInChI=1S/C17H20N2O2S2/c1-21-14-9-5-6-12(10-14)18-11-15-16(20)19(17(22)23-15)13-7-3-2-4-8-13/h5-6,9-11,13,20H,2-4,7-8H2,1H3/b18-11+
InChIKeyJFEHGHSXFYCAFN-WOJGMQOQSA-N
XLogP5.25
TPSA46.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.49
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-cyclohexyl-4-hydroxy-5-[(3-methoxyphenyl)iminomethyl]-1,3-thiazole-2-thione 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 3-cyclohexyl-4-hydroxy-5-[(3-methoxyphenyl)iminomethyl]-1,3-thiazole-2-thione?
The IUPAC name of 3-cyclohexyl-4-hydroxy-5-[(3-methoxyphenyl)iminomethyl]-1,3-thiazole-2-thione (CID 135398836) is 3-cyclohexyl-4-hydroxy-5-[(3-methoxyphenyl)iminomethyl]-1,3-thiazole-2-thione.
What is the SMILES notation for 3-cyclohexyl-4-hydroxy-5-[(3-methoxyphenyl)iminomethyl]-1,3-thiazole-2-thione?
The canonical SMILES for 3-cyclohexyl-4-hydroxy-5-[(3-methoxyphenyl)iminomethyl]-1,3-thiazole-2-thione is COc1cccc(/N=C/c2sc(=S)n(C3CCCCC3)c2O)c1.
What is the InChIKey of 3-cyclohexyl-4-hydroxy-5-[(3-methoxyphenyl)iminomethyl]-1,3-thiazole-2-thione?
The InChIKey is JFEHGHSXFYCAFN-WOJGMQOQSA-N. The full InChI is InChI=1S/C17H20N2O2S2/c1-21-14-9-5-6-12(10-14)18-11-15-16(20)19(17(22)23-15)13-7-3-2-4-8-13/h5-6,9-11,13,20H,2-4,7-8H2,1H3/b18-11+.
What are the key properties of 3-cyclohexyl-4-hydroxy-5-[(3-methoxyphenyl)iminomethyl]-1,3-thiazole-2-thione?
3-cyclohexyl-4-hydroxy-5-[(3-methoxyphenyl)iminomethyl]-1,3-thiazole-2-thione has a molecular weight of 348.49 g/mol, XLogP of 5.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-4-hydroxy-5-[(3-methoxyphenyl)iminomethyl]-1,3-thiazole-2-thione is sourced from PubChem (CID 135398836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).