4-(2-ethoxy-5-methylphenyl)-5-methyl-3H-1,3-thiazole-2-thione

C13H15NOS2 — CID 82362755

IUPAC4-(2-ethoxy-5-methylphenyl)-5-methyl-3H-1,3-thiazole-2-thione
SMILESCCOc1ccc(C)cc1-c1[nH]c(=S)sc1C
InChIInChI=1S/C13H15NOS2/c1-4-15-11-6-5-8(2)7-10(11)12-9(3)17-13(16)14-12/h5-7H,4H2,1-3H3,(H,14,16)
InChIKeyROFWDGZBVNDWGT-UHFFFAOYSA-N
MW265.40 g/mol
LogP4.49
Rot. Bonds3

About 4-(2-ethoxy-5-methylphenyl)-5-methyl-3H-1,3-thiazole-2-thione

4-(2-ethoxy-5-methylphenyl)-5-methyl-3H-1,3-thiazole-2-thione (PubChem CID 82362755) has the molecular formula C13H15NOS2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 4-(2-ethoxy-5-methylphenyl)-5-methyl-3H-1,3-thiazole-2-thione.

Molecular Properties

Compound Name4-(2-ethoxy-5-methylphenyl)-5-methyl-3H-1,3-thiazole-2-thione
PubChem CID82362755
Molecular FormulaC13H15NOS2
Molecular Weight265.40 g/mol
Exact Mass265.06
IUPAC Name4-(2-ethoxy-5-methylphenyl)-5-methyl-3H-1,3-thiazole-2-thione
SMILESCCOc1ccc(C)cc1-c1[nH]c(=S)sc1C
InChIInChI=1S/C13H15NOS2/c1-4-15-11-6-5-8(2)7-10(11)12-9(3)17-13(16)14-12/h5-7H,4H2,1-3H3,(H,14,16)
InChIKeyROFWDGZBVNDWGT-UHFFFAOYSA-N
XLogP4.49
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(2-ethoxy-5-methylphenyl)-5-methyl-3H-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

Related Compounds

2-(2-ethoxy-5-methylphenyl)-5-ethyl-1,3-thiazole
CID 178133907
4-(2-ethoxy-5-methylphenyl)-1H-pyrazol-5-amine
CID 117309607
4-(2-ethoxy-5-methylphenyl)-5-methyl-2-piperazin-1-yl-1,3-thiazole
CID 94777129
CID 67422978
CID 67422978
1-ethoxy-2-fluoro-4-methylbenzene
CID 21057749
(1R)-1-(2-ethoxy-5-methylphenyl)ethanol
CID 63364902
3-ethoxy-2,5-dimethylthiophene
CID 58153015
[3-(2-ethoxy-5-methylphenyl)-1,2-oxazol-5-yl]methanamine
CID 82371443
2-bromo-1-ethoxy-4-methylbenzene;ethane
CID 143442482
7-ethoxy-3H-1,3-benzothiazole-2-thione;zinc
CID 157385165
2-[bromo-(2-ethoxy-5-methylphenyl)methyl]-5-methylthiophene
CID 63447966
2-[4-(2-ethoxy-5-methylphenyl)-1,3-thiazol-2-yl]ethanamine
CID 3312423

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxy-5-methylphenyl)-5-methyl-3H-1,3-thiazole-2-thione?
The IUPAC name of 4-(2-ethoxy-5-methylphenyl)-5-methyl-3H-1,3-thiazole-2-thione (CID 82362755) is 4-(2-ethoxy-5-methylphenyl)-5-methyl-3H-1,3-thiazole-2-thione.
What is the SMILES notation for 4-(2-ethoxy-5-methylphenyl)-5-methyl-3H-1,3-thiazole-2-thione?
The canonical SMILES for 4-(2-ethoxy-5-methylphenyl)-5-methyl-3H-1,3-thiazole-2-thione is CCOc1ccc(C)cc1-c1[nH]c(=S)sc1C.
What is the InChIKey of 4-(2-ethoxy-5-methylphenyl)-5-methyl-3H-1,3-thiazole-2-thione?
The InChIKey is ROFWDGZBVNDWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NOS2/c1-4-15-11-6-5-8(2)7-10(11)12-9(3)17-13(16)14-12/h5-7H,4H2,1-3H3,(H,14,16).
What are the key properties of 4-(2-ethoxy-5-methylphenyl)-5-methyl-3H-1,3-thiazole-2-thione?
4-(2-ethoxy-5-methylphenyl)-5-methyl-3H-1,3-thiazole-2-thione has a molecular weight of 265.40 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxy-5-methylphenyl)-5-methyl-3H-1,3-thiazole-2-thione is sourced from PubChem (CID 82362755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).