4-(4-ethoxyphenyl)-2-[1-(3-methoxyphenyl)-5-methyltriazol-4-yl]-1,3-thiazole

C21H20N4O2S — CID 27373069

IUPAC4-(4-ethoxyphenyl)-2-[1-(3-methoxyphenyl)-5-methyltriazol-4-yl]-1,3-thiazole
SMILESCCOc1ccc(-c2csc(-c3nnn(-c4cccc(OC)c4)c3C)n2)cc1
InChIInChI=1S/C21H20N4O2S/c1-4-27-17-10-8-15(9-11-17)19-13-28-21(22-19)20-14(2)25(24-23-20)16-6-5-7-18(12-16)26-3/h5-13H,4H2,1-3H3
InChIKeyYMRVVZILKBZBHX-UHFFFAOYSA-N
MW392.48 g/mol
LogP4.77
Rot. Bonds6

About 4-(4-ethoxyphenyl)-2-[1-(3-methoxyphenyl)-5-methyltriazol-4-yl]-1,3-thiazole

4-(4-ethoxyphenyl)-2-[1-(3-methoxyphenyl)-5-methyltriazol-4-yl]-1,3-thiazole (PubChem CID 27373069) has the molecular formula C21H20N4O2S and a molecular weight of 392.48 g/mol. Its IUPAC name is 4-(4-ethoxyphenyl)-2-[1-(3-methoxyphenyl)-5-methyltriazol-4-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-(4-ethoxyphenyl)-2-[1-(3-methoxyphenyl)-5-methyltriazol-4-yl]-1,3-thiazole
PubChem CID27373069
Molecular FormulaC21H20N4O2S
Molecular Weight392.48 g/mol
Exact Mass392.13
IUPAC Name4-(4-ethoxyphenyl)-2-[1-(3-methoxyphenyl)-5-methyltriazol-4-yl]-1,3-thiazole
SMILESCCOc1ccc(-c2csc(-c3nnn(-c4cccc(OC)c4)c3C)n2)cc1
InChIInChI=1S/C21H20N4O2S/c1-4-27-17-10-8-15(9-11-17)19-13-28-21(22-19)20-14(2)25(24-23-20)16-6-5-7-18(12-16)26-3/h5-13H,4H2,1-3H3
InChIKeyYMRVVZILKBZBHX-UHFFFAOYSA-N
XLogP4.77
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxyphenyl)-2-[1-(3-methoxyphenyl)-5-methyltriazol-4-yl]-1,3-thiazole?
The IUPAC name of 4-(4-ethoxyphenyl)-2-[1-(3-methoxyphenyl)-5-methyltriazol-4-yl]-1,3-thiazole (CID 27373069) is 4-(4-ethoxyphenyl)-2-[1-(3-methoxyphenyl)-5-methyltriazol-4-yl]-1,3-thiazole.
What is the SMILES notation for 4-(4-ethoxyphenyl)-2-[1-(3-methoxyphenyl)-5-methyltriazol-4-yl]-1,3-thiazole?
The canonical SMILES for 4-(4-ethoxyphenyl)-2-[1-(3-methoxyphenyl)-5-methyltriazol-4-yl]-1,3-thiazole is CCOc1ccc(-c2csc(-c3nnn(-c4cccc(OC)c4)c3C)n2)cc1.
What is the InChIKey of 4-(4-ethoxyphenyl)-2-[1-(3-methoxyphenyl)-5-methyltriazol-4-yl]-1,3-thiazole?
The InChIKey is YMRVVZILKBZBHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2S/c1-4-27-17-10-8-15(9-11-17)19-13-28-21(22-19)20-14(2)25(24-23-20)16-6-5-7-18(12-16)26-3/h5-13H,4H2,1-3H3.
What are the key properties of 4-(4-ethoxyphenyl)-2-[1-(3-methoxyphenyl)-5-methyltriazol-4-yl]-1,3-thiazole?
4-(4-ethoxyphenyl)-2-[1-(3-methoxyphenyl)-5-methyltriazol-4-yl]-1,3-thiazole has a molecular weight of 392.48 g/mol, XLogP of 4.77, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxyphenyl)-2-[1-(3-methoxyphenyl)-5-methyltriazol-4-yl]-1,3-thiazole is sourced from PubChem (CID 27373069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).