[2-(3-ethoxy-4-methoxyphenyl)-4-ethyl-1,3-thiazol-5-yl]methanethiol

C15H19NO2S2 — CID 82430204

IUPAC[2-(3-ethoxy-4-methoxyphenyl)-4-ethyl-1,3-thiazol-5-yl]methanethiol
SMILESCCOc1cc(-c2nc(CC)c(CS)s2)ccc1OC
InChIInChI=1S/C15H19NO2S2/c1-4-11-14(9-19)20-15(16-11)10-6-7-12(17-3)13(8-10)18-5-2/h6-8,19H,4-5,9H2,1-3H3
InChIKeyLYNGRSRQAIXWGD-UHFFFAOYSA-N
MW309.46 g/mol
LogP4.21
Rot. Bonds6

About [2-(3-ethoxy-4-methoxyphenyl)-4-ethyl-1,3-thiazol-5-yl]methanethiol

[2-(3-ethoxy-4-methoxyphenyl)-4-ethyl-1,3-thiazol-5-yl]methanethiol (PubChem CID 82430204) has the molecular formula C15H19NO2S2 and a molecular weight of 309.46 g/mol. Its IUPAC name is [2-(3-ethoxy-4-methoxyphenyl)-4-ethyl-1,3-thiazol-5-yl]methanethiol.

Molecular Properties

Compound Name[2-(3-ethoxy-4-methoxyphenyl)-4-ethyl-1,3-thiazol-5-yl]methanethiol
PubChem CID82430204
Molecular FormulaC15H19NO2S2
Molecular Weight309.46 g/mol
Exact Mass309.09
IUPAC Name[2-(3-ethoxy-4-methoxyphenyl)-4-ethyl-1,3-thiazol-5-yl]methanethiol
SMILESCCOc1cc(-c2nc(CC)c(CS)s2)ccc1OC
InChIInChI=1S/C15H19NO2S2/c1-4-11-14(9-19)20-15(16-11)10-6-7-12(17-3)13(8-10)18-5-2/h6-8,19H,4-5,9H2,1-3H3
InChIKeyLYNGRSRQAIXWGD-UHFFFAOYSA-N
XLogP4.21
TPSA31.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.46
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

[2-(3-ethoxy-4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methanethiol
CID 82427206
[2-(4-ethoxy-3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methanethiol
CID 82427187
[2-(4-ethoxy-3-methoxyphenyl)-5-ethyl-1,3-thiazol-4-yl]methanol
CID 117099049
[2-(4-methoxy-3-propoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methanethiol
CID 82427260
[2-(2,5-dimethoxyphenyl)-4-ethyl-1,3-thiazol-5-yl]methanethiol
CID 82430342
2-(3,4-diethoxyphenyl)-4-ethyl-1,3-thiazole-5-carbonitrile
CID 82430209
[2-(4-ethoxy-3-methoxyphenyl)-5-methyl-1,3-thiazol-4-yl]methanol
CID 117098981
2-[2-(3,4-dimethoxyphenyl)-4-ethyl-1,3-thiazol-5-yl]propan-2-amine
CID 82430183
2-(3-ethoxy-4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 20991152
[4-ethyl-2-[(2-methoxyphenoxy)methyl]-1,3-thiazol-5-yl]methanethiol
CID 82429108
[2-(3,4-dimethoxyphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol
CID 82441267
4-[2-(3,4-diethoxyphenyl)-5-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-2-ethylphenol;dihydrochloride
CID 18707201

Frequently Asked Questions

What is the IUPAC name of [2-(3-ethoxy-4-methoxyphenyl)-4-ethyl-1,3-thiazol-5-yl]methanethiol?
The IUPAC name of [2-(3-ethoxy-4-methoxyphenyl)-4-ethyl-1,3-thiazol-5-yl]methanethiol (CID 82430204) is [2-(3-ethoxy-4-methoxyphenyl)-4-ethyl-1,3-thiazol-5-yl]methanethiol.
What is the SMILES notation for [2-(3-ethoxy-4-methoxyphenyl)-4-ethyl-1,3-thiazol-5-yl]methanethiol?
The canonical SMILES for [2-(3-ethoxy-4-methoxyphenyl)-4-ethyl-1,3-thiazol-5-yl]methanethiol is CCOc1cc(-c2nc(CC)c(CS)s2)ccc1OC.
What is the InChIKey of [2-(3-ethoxy-4-methoxyphenyl)-4-ethyl-1,3-thiazol-5-yl]methanethiol?
The InChIKey is LYNGRSRQAIXWGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2S2/c1-4-11-14(9-19)20-15(16-11)10-6-7-12(17-3)13(8-10)18-5-2/h6-8,19H,4-5,9H2,1-3H3.
What are the key properties of [2-(3-ethoxy-4-methoxyphenyl)-4-ethyl-1,3-thiazol-5-yl]methanethiol?
[2-(3-ethoxy-4-methoxyphenyl)-4-ethyl-1,3-thiazol-5-yl]methanethiol has a molecular weight of 309.46 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-ethoxy-4-methoxyphenyl)-4-ethyl-1,3-thiazol-5-yl]methanethiol is sourced from PubChem (CID 82430204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).