3-[(E)-(2-cyclohexylimino-4-methyl-1,3-thiazol-3-yl)iminomethyl]-2-methylphenol

C18H23N3OS — CID 126660036

IUPAC3-[(E)-(2-cyclohexylimino-4-methyl-1,3-thiazol-3-yl)iminomethyl]-2-methylphenol
SMILESCc1c(O)cccc1/C=N/n1c(C)cs/c1=N\C1CCCCC1
InChIInChI=1S/C18H23N3OS/c1-13-12-23-18(20-16-8-4-3-5-9-16)21(13)19-11-15-7-6-10-17(22)14(15)2/h6-7,10-12,16,22H,3-5,8-9H2,1-2H3/b19-11+,20-18-
InChIKeyUYYMWEJIAVYKGW-IVUIJMHVSA-N
MW329.47 g/mol
LogP3.99
Rot. Bonds3

About 3-[(E)-(2-cyclohexylimino-4-methyl-1,3-thiazol-3-yl)iminomethyl]-2-methylphenol

3-[(E)-(2-cyclohexylimino-4-methyl-1,3-thiazol-3-yl)iminomethyl]-2-methylphenol (PubChem CID 126660036) has the molecular formula C18H23N3OS and a molecular weight of 329.47 g/mol. Its IUPAC name is 3-[(E)-(2-cyclohexylimino-4-methyl-1,3-thiazol-3-yl)iminomethyl]-2-methylphenol.

Molecular Properties

Compound Name3-[(E)-(2-cyclohexylimino-4-methyl-1,3-thiazol-3-yl)iminomethyl]-2-methylphenol
PubChem CID126660036
Molecular FormulaC18H23N3OS
Molecular Weight329.47 g/mol
Exact Mass329.16
IUPAC Name3-[(E)-(2-cyclohexylimino-4-methyl-1,3-thiazol-3-yl)iminomethyl]-2-methylphenol
SMILESCc1c(O)cccc1/C=N/n1c(C)cs/c1=N\C1CCCCC1
InChIInChI=1S/C18H23N3OS/c1-13-12-23-18(20-16-8-4-3-5-9-16)21(13)19-11-15-7-6-10-17(22)14(15)2/h6-7,10-12,16,22H,3-5,8-9H2,1-2H3/b19-11+,20-18-
InChIKeyUYYMWEJIAVYKGW-IVUIJMHVSA-N
XLogP3.99
TPSA49.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[(E)-(2-cyclohexylimino-4-methyl-1,3-thiazol-3-yl)iminomethyl]-2-methylphenol 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-[(E)-(2-cyclohexylimino-4-methyl-1,3-thiazol-3-yl)iminomethyl]-2-methylphenol?
The IUPAC name of 3-[(E)-(2-cyclohexylimino-4-methyl-1,3-thiazol-3-yl)iminomethyl]-2-methylphenol (CID 126660036) is 3-[(E)-(2-cyclohexylimino-4-methyl-1,3-thiazol-3-yl)iminomethyl]-2-methylphenol.
What is the SMILES notation for 3-[(E)-(2-cyclohexylimino-4-methyl-1,3-thiazol-3-yl)iminomethyl]-2-methylphenol?
The canonical SMILES for 3-[(E)-(2-cyclohexylimino-4-methyl-1,3-thiazol-3-yl)iminomethyl]-2-methylphenol is Cc1c(O)cccc1/C=N/n1c(C)cs/c1=N\C1CCCCC1.
What is the InChIKey of 3-[(E)-(2-cyclohexylimino-4-methyl-1,3-thiazol-3-yl)iminomethyl]-2-methylphenol?
The InChIKey is UYYMWEJIAVYKGW-IVUIJMHVSA-N. The full InChI is InChI=1S/C18H23N3OS/c1-13-12-23-18(20-16-8-4-3-5-9-16)21(13)19-11-15-7-6-10-17(22)14(15)2/h6-7,10-12,16,22H,3-5,8-9H2,1-2H3/b19-11+,20-18-.
What are the key properties of 3-[(E)-(2-cyclohexylimino-4-methyl-1,3-thiazol-3-yl)iminomethyl]-2-methylphenol?
3-[(E)-(2-cyclohexylimino-4-methyl-1,3-thiazol-3-yl)iminomethyl]-2-methylphenol has a molecular weight of 329.47 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-(2-cyclohexylimino-4-methyl-1,3-thiazol-3-yl)iminomethyl]-2-methylphenol is sourced from PubChem (CID 126660036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).