2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-4-ol

C11H9NO3S — CID 116889740

IUPAC2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-4-ol
SMILESOc1csc(-c2ccc3c(c2)OCCO3)n1
InChIInChI=1S/C11H9NO3S/c13-10-6-16-11(12-10)7-1-2-8-9(5-7)15-4-3-14-8/h1-2,5-6,13H,3-4H2
InChIKeyVQWKJNOGWFJIJN-UHFFFAOYSA-N
MW235.26 g/mol
LogP2.29
Rot. Bonds1

About 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-4-ol

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-4-ol (PubChem CID 116889740) has the molecular formula C11H9NO3S and a molecular weight of 235.26 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-4-ol.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-4-ol
PubChem CID116889740
Molecular FormulaC11H9NO3S
Molecular Weight235.26 g/mol
Exact Mass235.03
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-4-ol
SMILESOc1csc(-c2ccc3c(c2)OCCO3)n1
InChIInChI=1S/C11H9NO3S/c13-10-6-16-11(12-10)7-1-2-8-9(5-7)15-4-3-14-8/h1-2,5-6,13H,3-4H2
InChIKeyVQWKJNOGWFJIJN-UHFFFAOYSA-N
XLogP2.29
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-4-ol
CID 116889808
2-(1,3-benzodioxol-5-yl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole
CID 2811159
2-(1,3-benzodioxol-5-yl)-4-chloro-1,3-thiazole
CID 116892273
3-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]phenol
CID 28942294
2-[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]acetic acid
CID 43327447
2-[cyclopropyl-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole-4-carbonyl]amino]propanoic acid
CID 122067342
N-(4-aminocyclohexyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119476191
4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-phenyl-1,3-thiazole
CID 9320259
5-(2,3-dihydro-1,4-benzodioxin-6-yl)benzene-1,3-diol
CID 102219638
2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-4-yl]-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 96548679
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole-4-carbonyl]pyrrolidine-3-carboxylic acid
CID 119354021
2-(1,3-benzodioxol-5-yl)-4-methoxy-1,3-thiazole
CID 116891760

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-4-ol?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-4-ol (CID 116889740) is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-4-ol.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-4-ol?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-4-ol is Oc1csc(-c2ccc3c(c2)OCCO3)n1.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-4-ol?
The InChIKey is VQWKJNOGWFJIJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3S/c13-10-6-16-11(12-10)7-1-2-8-9(5-7)15-4-3-14-8/h1-2,5-6,13H,3-4H2.
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-4-ol?
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-4-ol has a molecular weight of 235.26 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-4-ol is sourced from PubChem (CID 116889740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).