2,4-bis(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole

C19H15NO4S — CID 2738214

IUPAC2,4-bis(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole
SMILESc1cc2c(cc1-c1csc(-c3ccc4c(c3)OCCO4)n1)OCCO2
InChIInChI=1S/C19H15NO4S/c1-3-15-17(23-7-5-21-15)9-12(1)14-11-25-19(20-14)13-2-4-16-18(10-13)24-8-6-22-16/h1-4,9-11H,5-8H2
InChIKeyYRNPQOMHVYVAOB-UHFFFAOYSA-N
MW353.40 g/mol
LogP4.02
Rot. Bonds2

About 2,4-bis(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole

2,4-bis(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole (PubChem CID 2738214) has the molecular formula C19H15NO4S and a molecular weight of 353.40 g/mol. Its IUPAC name is 2,4-bis(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole.

Molecular Properties

Compound Name2,4-bis(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole
PubChem CID2738214
Molecular FormulaC19H15NO4S
Molecular Weight353.40 g/mol
Exact Mass353.07
IUPAC Name2,4-bis(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole
SMILESc1cc2c(cc1-c1csc(-c3ccc4c(c3)OCCO4)n1)OCCO2
InChIInChI=1S/C19H15NO4S/c1-3-15-17(23-7-5-21-15)9-12(1)14-11-25-19(20-14)13-2-4-16-18(10-13)24-8-6-22-16/h1-4,9-11H,5-8H2
InChIKeyYRNPQOMHVYVAOB-UHFFFAOYSA-N
XLogP4.02
TPSA49.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,4-bis(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole?
The IUPAC name of 2,4-bis(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole (CID 2738214) is 2,4-bis(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole.
What is the SMILES notation for 2,4-bis(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole?
The canonical SMILES for 2,4-bis(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole is c1cc2c(cc1-c1csc(-c3ccc4c(c3)OCCO4)n1)OCCO2.
What is the InChIKey of 2,4-bis(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole?
The InChIKey is YRNPQOMHVYVAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO4S/c1-3-15-17(23-7-5-21-15)9-12(1)14-11-25-19(20-14)13-2-4-16-18(10-13)24-8-6-22-16/h1-4,9-11H,5-8H2.
What are the key properties of 2,4-bis(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole?
2,4-bis(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole has a molecular weight of 353.40 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole is sourced from PubChem (CID 2738214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).