3-cyclohexyl-4-hydroxy-5-(phenyliminomethyl)-1,3-thiazole-2-thione

C16H18N2OS2 — CID 3108382

IUPAC3-cyclohexyl-4-hydroxy-5-(phenyliminomethyl)-1,3-thiazole-2-thione
SMILESOc1c(/C=N/c2ccccc2)sc(=S)n1C1CCCCC1
InChIInChI=1S/C16H18N2OS2/c19-15-14(11-17-12-7-3-1-4-8-12)21-16(20)18(15)13-9-5-2-6-10-13/h1,3-4,7-8,11,13,19H,2,5-6,9-10H2/b17-11+
InChIKeyBRDUWAZBZIASGB-GZTJUZNOSA-N
MW318.47 g/mol
LogP5.24
Rot. Bonds3

About 3-cyclohexyl-4-hydroxy-5-(phenyliminomethyl)-1,3-thiazole-2-thione

3-cyclohexyl-4-hydroxy-5-(phenyliminomethyl)-1,3-thiazole-2-thione (PubChem CID 3108382) has the molecular formula C16H18N2OS2 and a molecular weight of 318.47 g/mol. Its IUPAC name is 3-cyclohexyl-4-hydroxy-5-(phenyliminomethyl)-1,3-thiazole-2-thione.

Molecular Properties

Compound Name3-cyclohexyl-4-hydroxy-5-(phenyliminomethyl)-1,3-thiazole-2-thione
PubChem CID3108382
Molecular FormulaC16H18N2OS2
Molecular Weight318.47 g/mol
Exact Mass318.09
IUPAC Name3-cyclohexyl-4-hydroxy-5-(phenyliminomethyl)-1,3-thiazole-2-thione
SMILESOc1c(/C=N/c2ccccc2)sc(=S)n1C1CCCCC1
InChIInChI=1S/C16H18N2OS2/c19-15-14(11-17-12-7-3-1-4-8-12)21-16(20)18(15)13-9-5-2-6-10-13/h1,3-4,7-8,11,13,19H,2,5-6,9-10H2/b17-11+
InChIKeyBRDUWAZBZIASGB-GZTJUZNOSA-N
XLogP5.24
TPSA37.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.47
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(phenyliminomethyl)-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-(phenyliminomethyl)-1,3-thiazole-2-thione?
The IUPAC name of 3-cyclohexyl-4-hydroxy-5-(phenyliminomethyl)-1,3-thiazole-2-thione (CID 3108382) is 3-cyclohexyl-4-hydroxy-5-(phenyliminomethyl)-1,3-thiazole-2-thione.
What is the SMILES notation for 3-cyclohexyl-4-hydroxy-5-(phenyliminomethyl)-1,3-thiazole-2-thione?
The canonical SMILES for 3-cyclohexyl-4-hydroxy-5-(phenyliminomethyl)-1,3-thiazole-2-thione is Oc1c(/C=N/c2ccccc2)sc(=S)n1C1CCCCC1.
What is the InChIKey of 3-cyclohexyl-4-hydroxy-5-(phenyliminomethyl)-1,3-thiazole-2-thione?
The InChIKey is BRDUWAZBZIASGB-GZTJUZNOSA-N. The full InChI is InChI=1S/C16H18N2OS2/c19-15-14(11-17-12-7-3-1-4-8-12)21-16(20)18(15)13-9-5-2-6-10-13/h1,3-4,7-8,11,13,19H,2,5-6,9-10H2/b17-11+.
What are the key properties of 3-cyclohexyl-4-hydroxy-5-(phenyliminomethyl)-1,3-thiazole-2-thione?
3-cyclohexyl-4-hydroxy-5-(phenyliminomethyl)-1,3-thiazole-2-thione has a molecular weight of 318.47 g/mol, XLogP of 5.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-4-hydroxy-5-(phenyliminomethyl)-1,3-thiazole-2-thione is sourced from PubChem (CID 3108382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).