4-(2,4-dimethoxyphenyl)-5-ethyl-3H-1,3-thiazole-2-thione

C13H15NO2S2 — CID 82362824

IUPAC4-(2,4-dimethoxyphenyl)-5-ethyl-3H-1,3-thiazole-2-thione
SMILESCCc1sc(=S)[nH]c1-c1ccc(OC)cc1OC
InChIInChI=1S/C13H15NO2S2/c1-4-11-12(14-13(17)18-11)9-6-5-8(15-2)7-10(9)16-3/h5-7H,4H2,1-3H3,(H,14,17)
InChIKeyFFQGOXQWWKGPLU-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.05
Rot. Bonds4

About 4-(2,4-dimethoxyphenyl)-5-ethyl-3H-1,3-thiazole-2-thione

4-(2,4-dimethoxyphenyl)-5-ethyl-3H-1,3-thiazole-2-thione (PubChem CID 82362824) has the molecular formula C13H15NO2S2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 4-(2,4-dimethoxyphenyl)-5-ethyl-3H-1,3-thiazole-2-thione.

Molecular Properties

Compound Name4-(2,4-dimethoxyphenyl)-5-ethyl-3H-1,3-thiazole-2-thione
PubChem CID82362824
Molecular FormulaC13H15NO2S2
Molecular Weight281.40 g/mol
Exact Mass281.05
IUPAC Name4-(2,4-dimethoxyphenyl)-5-ethyl-3H-1,3-thiazole-2-thione
SMILESCCc1sc(=S)[nH]c1-c1ccc(OC)cc1OC
InChIInChI=1S/C13H15NO2S2/c1-4-11-12(14-13(17)18-11)9-6-5-8(15-2)7-10(9)16-3/h5-7H,4H2,1-3H3,(H,14,17)
InChIKeyFFQGOXQWWKGPLU-UHFFFAOYSA-N
XLogP4.05
TPSA34.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-(2,4-dimethoxyphenyl)-5-ethyl-4-hydroxy-3-methyl-1H-pyridin-2-one
CID 144545472
6-methoxy-3H-1,3-benzothiazole-2-thione
CID 11401345
2-(2,4-dimethoxyphenyl)-5-methyl-1H-pyrrole
CID 82078942
1-[2-(2,4-dimethoxyphenyl)phenyl]-2,4-dimethoxybenzene
CID 70200625
6-(2,4-dimethoxyphenyl)-2-ethylimidazo[2,1-b][1,3,4]thiadiazole
CID 107646364
4-(2,4-dimethoxyphenyl)-3-methyl-1H-imidazole-2-thione
CID 118671646
6-(2,4-dimethoxyphenyl)-5-fluoro-1H-pyrimidin-2-one
CID 106516713
[2-(2,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methanamine
CID 82133642
5-(2,4-dimethoxyphenyl)-2H-tetrazole
CID 82077250
3-amino-5-(2,4-dimethoxyphenyl)-4-ethylthiophene-2-carboxylic acid
CID 83036757
5-(2,4-dimethoxyphenyl)-2-ethyl-1,3-thiazole-4-carboxylic acid
CID 106510708
2-[2-(2,4-dimethoxyphenyl)-1H-indol-3-yl]acetic acid
CID 5132997

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethoxyphenyl)-5-ethyl-3H-1,3-thiazole-2-thione?
The IUPAC name of 4-(2,4-dimethoxyphenyl)-5-ethyl-3H-1,3-thiazole-2-thione (CID 82362824) is 4-(2,4-dimethoxyphenyl)-5-ethyl-3H-1,3-thiazole-2-thione.
What is the SMILES notation for 4-(2,4-dimethoxyphenyl)-5-ethyl-3H-1,3-thiazole-2-thione?
The canonical SMILES for 4-(2,4-dimethoxyphenyl)-5-ethyl-3H-1,3-thiazole-2-thione is CCc1sc(=S)[nH]c1-c1ccc(OC)cc1OC.
What is the InChIKey of 4-(2,4-dimethoxyphenyl)-5-ethyl-3H-1,3-thiazole-2-thione?
The InChIKey is FFQGOXQWWKGPLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2S2/c1-4-11-12(14-13(17)18-11)9-6-5-8(15-2)7-10(9)16-3/h5-7H,4H2,1-3H3,(H,14,17).
What are the key properties of 4-(2,4-dimethoxyphenyl)-5-ethyl-3H-1,3-thiazole-2-thione?
4-(2,4-dimethoxyphenyl)-5-ethyl-3H-1,3-thiazole-2-thione has a molecular weight of 281.40 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethoxyphenyl)-5-ethyl-3H-1,3-thiazole-2-thione is sourced from PubChem (CID 82362824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).