2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-(4-ethoxyphenyl)-1,3-thiazole

C19H17NO3S — CID 2842450

IUPAC2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-(4-ethoxyphenyl)-1,3-thiazole
SMILESCCOc1ccc(-c2csc(C3COc4ccccc4O3)n2)cc1
InChIInChI=1S/C19H17NO3S/c1-2-21-14-9-7-13(8-10-14)15-12-24-19(20-15)18-11-22-16-5-3-4-6-17(16)23-18/h3-10,12,18H,2,11H2,1H3
InChIKeyZJRXUUQCZBMFLC-UHFFFAOYSA-N
MW339.42 g/mol
LogP4.72
Rot. Bonds4

About 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-(4-ethoxyphenyl)-1,3-thiazole

2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-(4-ethoxyphenyl)-1,3-thiazole (PubChem CID 2842450) has the molecular formula C19H17NO3S and a molecular weight of 339.42 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-(4-ethoxyphenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-(4-ethoxyphenyl)-1,3-thiazole
PubChem CID2842450
Molecular FormulaC19H17NO3S
Molecular Weight339.42 g/mol
Exact Mass339.09
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-(4-ethoxyphenyl)-1,3-thiazole
SMILESCCOc1ccc(-c2csc(C3COc4ccccc4O3)n2)cc1
InChIInChI=1S/C19H17NO3S/c1-2-21-14-9-7-13(8-10-14)15-12-24-19(20-15)18-11-22-16-5-3-4-6-17(16)23-18/h3-10,12,18H,2,11H2,1H3
InChIKeyZJRXUUQCZBMFLC-UHFFFAOYSA-N
XLogP4.72
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-(4-ethoxyphenyl)-1,3-thiazole?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-(4-ethoxyphenyl)-1,3-thiazole (CID 2842450) is 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-(4-ethoxyphenyl)-1,3-thiazole.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-(4-ethoxyphenyl)-1,3-thiazole?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-(4-ethoxyphenyl)-1,3-thiazole is CCOc1ccc(-c2csc(C3COc4ccccc4O3)n2)cc1.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-(4-ethoxyphenyl)-1,3-thiazole?
The InChIKey is ZJRXUUQCZBMFLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3S/c1-2-21-14-9-7-13(8-10-14)15-12-24-19(20-15)18-11-22-16-5-3-4-6-17(16)23-18/h3-10,12,18H,2,11H2,1H3.
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-(4-ethoxyphenyl)-1,3-thiazole?
2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-(4-ethoxyphenyl)-1,3-thiazole has a molecular weight of 339.42 g/mol, XLogP of 4.72, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-(4-ethoxyphenyl)-1,3-thiazole is sourced from PubChem (CID 2842450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).