2-(3-methoxyphenyl)-4-[(4-methylsulfanylphenoxy)methyl]-1,3-thiazole

C18H17NO2S2 — CID 134051441

IUPAC2-(3-methoxyphenyl)-4-[(4-methylsulfanylphenoxy)methyl]-1,3-thiazole
SMILESCOc1cccc(-c2nc(COc3ccc(SC)cc3)cs2)c1
InChIInChI=1S/C18H17NO2S2/c1-20-16-5-3-4-13(10-16)18-19-14(12-23-18)11-21-15-6-8-17(22-2)9-7-15/h3-10,12H,11H2,1-2H3
InChIKeyCIJDXRYEHMOVKZ-UHFFFAOYSA-N
MW343.47 g/mol
LogP5.12
Rot. Bonds6

About 2-(3-methoxyphenyl)-4-[(4-methylsulfanylphenoxy)methyl]-1,3-thiazole

2-(3-methoxyphenyl)-4-[(4-methylsulfanylphenoxy)methyl]-1,3-thiazole (PubChem CID 134051441) has the molecular formula C18H17NO2S2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-4-[(4-methylsulfanylphenoxy)methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-4-[(4-methylsulfanylphenoxy)methyl]-1,3-thiazole
PubChem CID134051441
Molecular FormulaC18H17NO2S2
Molecular Weight343.47 g/mol
Exact Mass343.07
IUPAC Name2-(3-methoxyphenyl)-4-[(4-methylsulfanylphenoxy)methyl]-1,3-thiazole
SMILESCOc1cccc(-c2nc(COc3ccc(SC)cc3)cs2)c1
InChIInChI=1S/C18H17NO2S2/c1-20-16-5-3-4-13(10-16)18-19-14(12-23-18)11-21-15-6-8-17(22-2)9-7-15/h3-10,12H,11H2,1-2H3
InChIKeyCIJDXRYEHMOVKZ-UHFFFAOYSA-N
XLogP5.12
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.47
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-methoxyphenyl)-4-(2-methylpropyl)-1,3-thiazole
CID 146521628
4-(2-chloroethyl)-2-(3-methoxyphenyl)-1,3-thiazole
CID 82088342
N-[[3-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methoxy]phenyl]methyl]hydroxylamine
CID 10497495
4-(methoxymethyl)-2-(4-methylsulfanylphenyl)-1,3-thiazole
CID 107511959
1-[3-methoxy-4-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methoxy]phenyl]ethanone
CID 26036629
4-[(5-fluoro-2-nitrophenoxy)methyl]-2-(3-methoxyphenyl)-1,3-thiazole
CID 9492660
2-[2-[3-[2-(4-methoxyphenoxy)ethoxy]phenyl]-1,3-thiazol-4-yl]acetic acid
CID 20987846
1-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]propan-2-ol
CID 115089431
[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl cyclopropanecarboxylate
CID 71904980
[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl 4-fluorobenzoate
CID 7789627
[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl pyridine-2-carboxylate
CID 7776653
[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(4-propanoylphenoxy)acetate
CID 9326922

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-4-[(4-methylsulfanylphenoxy)methyl]-1,3-thiazole?
The IUPAC name of 2-(3-methoxyphenyl)-4-[(4-methylsulfanylphenoxy)methyl]-1,3-thiazole (CID 134051441) is 2-(3-methoxyphenyl)-4-[(4-methylsulfanylphenoxy)methyl]-1,3-thiazole.
What is the SMILES notation for 2-(3-methoxyphenyl)-4-[(4-methylsulfanylphenoxy)methyl]-1,3-thiazole?
The canonical SMILES for 2-(3-methoxyphenyl)-4-[(4-methylsulfanylphenoxy)methyl]-1,3-thiazole is COc1cccc(-c2nc(COc3ccc(SC)cc3)cs2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-4-[(4-methylsulfanylphenoxy)methyl]-1,3-thiazole?
The InChIKey is CIJDXRYEHMOVKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2S2/c1-20-16-5-3-4-13(10-16)18-19-14(12-23-18)11-21-15-6-8-17(22-2)9-7-15/h3-10,12H,11H2,1-2H3.
What are the key properties of 2-(3-methoxyphenyl)-4-[(4-methylsulfanylphenoxy)methyl]-1,3-thiazole?
2-(3-methoxyphenyl)-4-[(4-methylsulfanylphenoxy)methyl]-1,3-thiazole has a molecular weight of 343.47 g/mol, XLogP of 5.12, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-4-[(4-methylsulfanylphenoxy)methyl]-1,3-thiazole is sourced from PubChem (CID 134051441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).