2-ethyl-4-(4-methoxy-2,3-dimethylphenyl)-1,3-thiazole

C14H17NOS — CID 116970066

IUPAC2-ethyl-4-(4-methoxy-2,3-dimethylphenyl)-1,3-thiazole
SMILESCCc1nc(-c2ccc(OC)c(C)c2C)cs1
InChIInChI=1S/C14H17NOS/c1-5-14-15-12(8-17-14)11-6-7-13(16-4)10(3)9(11)2/h6-8H,5H2,1-4H3
InChIKeyVVALZYKGIAHXEG-UHFFFAOYSA-N
MW247.36 g/mol
LogP4.00
Rot. Bonds3

About 2-ethyl-4-(4-methoxy-2,3-dimethylphenyl)-1,3-thiazole

2-ethyl-4-(4-methoxy-2,3-dimethylphenyl)-1,3-thiazole (PubChem CID 116970066) has the molecular formula C14H17NOS and a molecular weight of 247.36 g/mol. Its IUPAC name is 2-ethyl-4-(4-methoxy-2,3-dimethylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-ethyl-4-(4-methoxy-2,3-dimethylphenyl)-1,3-thiazole
PubChem CID116970066
Molecular FormulaC14H17NOS
Molecular Weight247.36 g/mol
Exact Mass247.10
IUPAC Name2-ethyl-4-(4-methoxy-2,3-dimethylphenyl)-1,3-thiazole
SMILESCCc1nc(-c2ccc(OC)c(C)c2C)cs1
InChIInChI=1S/C14H17NOS/c1-5-14-15-12(8-17-14)11-6-7-13(16-4)10(3)9(11)2/h6-8H,5H2,1-4H3
InChIKeyVVALZYKGIAHXEG-UHFFFAOYSA-N
XLogP4.00
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(4-methoxy-2,3-dimethylphenyl)-1,3-thiazol-2-yl]methylhydrazine
CID 116970211
2-[4-(4-methoxy-2,3-dimethylphenyl)-1,3-thiazol-2-yl]acetonitrile
CID 82300637
4-(4,5-dimethoxy-2-methylphenyl)-2-ethyl-1,3-thiazole
CID 116970071
1-[4-(4-methoxy-2,3-dimethylphenyl)-1,3-thiazol-2-yl]ethanol
CID 116867574
2-bromo-4-(2,4-dimethoxy-3-methylphenyl)-1,3-thiazole
CID 116968047
2-(bromomethyl)-4-(5-ethyl-2-methoxyphenyl)-1,3-thiazole
CID 116970303
ethyl 2-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]acetate
CID 28942120
2-[4-(5-ethyl-2-methoxyphenyl)-1,3-thiazol-2-yl]acetaldehyde
CID 116968837
2-ethyl-4-(5-methylthiophen-2-yl)-1,3-thiazole
CID 130157214
2-(chloromethyl)-4-(2,5-dimethoxyphenyl)-1,3-thiazole
CID 62922717
2-(bromomethyl)-4-(4-methoxy-2,3,5-trimethylphenyl)-1,3-thiazole
CID 116970317
2-(2-chloroethyl)-4-(2,3,4-trimethylphenyl)-1,3-thiazole
CID 116965567

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(4-methoxy-2,3-dimethylphenyl)-1,3-thiazole?
The IUPAC name of 2-ethyl-4-(4-methoxy-2,3-dimethylphenyl)-1,3-thiazole (CID 116970066) is 2-ethyl-4-(4-methoxy-2,3-dimethylphenyl)-1,3-thiazole.
What is the SMILES notation for 2-ethyl-4-(4-methoxy-2,3-dimethylphenyl)-1,3-thiazole?
The canonical SMILES for 2-ethyl-4-(4-methoxy-2,3-dimethylphenyl)-1,3-thiazole is CCc1nc(-c2ccc(OC)c(C)c2C)cs1.
What is the InChIKey of 2-ethyl-4-(4-methoxy-2,3-dimethylphenyl)-1,3-thiazole?
The InChIKey is VVALZYKGIAHXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NOS/c1-5-14-15-12(8-17-14)11-6-7-13(16-4)10(3)9(11)2/h6-8H,5H2,1-4H3.
What are the key properties of 2-ethyl-4-(4-methoxy-2,3-dimethylphenyl)-1,3-thiazole?
2-ethyl-4-(4-methoxy-2,3-dimethylphenyl)-1,3-thiazole has a molecular weight of 247.36 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(4-methoxy-2,3-dimethylphenyl)-1,3-thiazole is sourced from PubChem (CID 116970066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).