2-(4-ethoxyphenyl)-5-methoxy-4-methyl-1,3-thiazole

C13H15NO2S — CID 116887536

IUPAC2-(4-ethoxyphenyl)-5-methoxy-4-methyl-1,3-thiazole
SMILESCCOc1ccc(-c2nc(C)c(OC)s2)cc1
InChIInChI=1S/C13H15NO2S/c1-4-16-11-7-5-10(6-8-11)12-14-9(2)13(15-3)17-12/h5-8H,4H2,1-3H3
InChIKeyBNVNMXONLCDOIJ-UHFFFAOYSA-N
MW249.33 g/mol
LogP3.53
Rot. Bonds4

About 2-(4-ethoxyphenyl)-5-methoxy-4-methyl-1,3-thiazole

2-(4-ethoxyphenyl)-5-methoxy-4-methyl-1,3-thiazole (PubChem CID 116887536) has the molecular formula C13H15NO2S and a molecular weight of 249.33 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-5-methoxy-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-5-methoxy-4-methyl-1,3-thiazole
PubChem CID116887536
Molecular FormulaC13H15NO2S
Molecular Weight249.33 g/mol
Exact Mass249.08
IUPAC Name2-(4-ethoxyphenyl)-5-methoxy-4-methyl-1,3-thiazole
SMILESCCOc1ccc(-c2nc(C)c(OC)s2)cc1
InChIInChI=1S/C13H15NO2S/c1-4-16-11-7-5-10(6-8-11)12-14-9(2)13(15-3)17-12/h5-8H,4H2,1-3H3
InChIKeyBNVNMXONLCDOIJ-UHFFFAOYSA-N
XLogP3.53
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole
CID 116887988
2-(4-butan-2-ylphenyl)-5-methoxy-4-methyl-1,3-thiazole
CID 116887526
2-(4-fluorophenyl)-5-methoxy-4-methyl-1,3-thiazole
CID 116887509
5-methoxy-4-methyl-2-phenyl-1,3-thiazole
CID 116887501
2-(4-ethoxyphenyl)-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 51172455
2-[4-(4-ethoxyphenyl)phenyl]-6-methoxy-1,3-benzothiazole
CID 146253203
5-methoxy-2-(3-methoxyphenyl)-4-methyl-1,3-thiazole
CID 116887585
2-bromo-5-(4-ethoxyphenyl)-4-methyl-1,3-thiazole
CID 82135118
N'-[2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 55616426
2-(4-ethoxyphenyl)-5-methyl-1,3-thiazole-4-carboxylic acid
CID 80503622
3-[[2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]-methylamino]propanoic acid
CID 119232512
2-[4-methyl-2-(4-propoxyphenyl)-1,3-thiazol-5-yl]propan-2-ol
CID 82427117

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-5-methoxy-4-methyl-1,3-thiazole?
The IUPAC name of 2-(4-ethoxyphenyl)-5-methoxy-4-methyl-1,3-thiazole (CID 116887536) is 2-(4-ethoxyphenyl)-5-methoxy-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-(4-ethoxyphenyl)-5-methoxy-4-methyl-1,3-thiazole?
The canonical SMILES for 2-(4-ethoxyphenyl)-5-methoxy-4-methyl-1,3-thiazole is CCOc1ccc(-c2nc(C)c(OC)s2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-5-methoxy-4-methyl-1,3-thiazole?
The InChIKey is BNVNMXONLCDOIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2S/c1-4-16-11-7-5-10(6-8-11)12-14-9(2)13(15-3)17-12/h5-8H,4H2,1-3H3.
What are the key properties of 2-(4-ethoxyphenyl)-5-methoxy-4-methyl-1,3-thiazole?
2-(4-ethoxyphenyl)-5-methoxy-4-methyl-1,3-thiazole has a molecular weight of 249.33 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-5-methoxy-4-methyl-1,3-thiazole is sourced from PubChem (CID 116887536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).