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

C17H14N2O4S2 — CID 2747295

IUPAC4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(pyridin-2-ylsulfonylmethyl)-1,3-thiazole
SMILESO=S(=O)(Cc1nc(-c2ccc3c(c2)OCCO3)cs1)c1ccccn1
InChIInChI=1S/C17H14N2O4S2/c20-25(21,17-3-1-2-6-18-17)11-16-19-13(10-24-16)12-4-5-14-15(9-12)23-8-7-22-14/h1-6,9-10H,7-8,11H2
InChIKeyLUHPTBVRPXOBQH-UHFFFAOYSA-N
MW374.44 g/mol
LogP2.95
Rot. Bonds4

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

4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(pyridin-2-ylsulfonylmethyl)-1,3-thiazole (PubChem CID 2747295) has the molecular formula C17H14N2O4S2 and a molecular weight of 374.44 g/mol. Its IUPAC name is 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(pyridin-2-ylsulfonylmethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(pyridin-2-ylsulfonylmethyl)-1,3-thiazole
PubChem CID2747295
Molecular FormulaC17H14N2O4S2
Molecular Weight374.44 g/mol
Exact Mass374.04
IUPAC Name4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(pyridin-2-ylsulfonylmethyl)-1,3-thiazole
SMILESO=S(=O)(Cc1nc(-c2ccc3c(c2)OCCO3)cs1)c1ccccn1
InChIInChI=1S/C17H14N2O4S2/c20-25(21,17-3-1-2-6-18-17)11-16-19-13(10-24-16)12-4-5-14-15(9-12)23-8-7-22-14/h1-6,9-10H,7-8,11H2
InChIKeyLUHPTBVRPXOBQH-UHFFFAOYSA-N
XLogP2.95
TPSA78.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-[4-(2-propan-2-ylindolizin-3-yl)sulfonylphenoxy]propan-1-amine
CID 10007739
4-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-pyridin-3-yl-1,3-thiazole
CID 675494
3-[4-(1,3-Benzodioxol-5-yl)-1,3-thiazol-2-yl]pyridine
CID 1536758
N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 3240548
N-[4-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-thiazolyl]-2-pyridinamine
CID 17492074
3-[2-[6-[4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenoxy]-3-pyridinyl]-1,3-thiazol-4-yl]phenol
CID 71560811
2-[6-[4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenoxy]-3-pyridinyl]-4-(3-methoxyphenyl)-1,3-thiazole
CID 71560812
2-[6-[4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenoxy]-3-pyridinyl]-4-(4-fluorophenyl)-1,3-thiazole
CID 71560939
4-[4-(Cyclopropylmethoxy)phenyl]-2-(2-propyl-4-pyridyl)thiazole
CID 118709519
4-[4-(2-Methoxyethoxy)phenyl]-2-(2-propyl-4-pyridyl)thiazole
CID 118709520
1-[4-(3,4-Dimethoxyphenyl)-1,3-thiazol-2-yl]-1-pyridin-4-ylethanol
CID 46944159
N-{2-[2-(pyridin-3-yl)-1,3-thiazol-4-yl]ethyl}-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 5310125

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(pyridin-2-ylsulfonylmethyl)-1,3-thiazole?
The IUPAC name of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(pyridin-2-ylsulfonylmethyl)-1,3-thiazole (CID 2747295) is 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(pyridin-2-ylsulfonylmethyl)-1,3-thiazole.
What is the SMILES notation for 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(pyridin-2-ylsulfonylmethyl)-1,3-thiazole?
The canonical SMILES for 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(pyridin-2-ylsulfonylmethyl)-1,3-thiazole is O=S(=O)(Cc1nc(-c2ccc3c(c2)OCCO3)cs1)c1ccccn1.
What is the InChIKey of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(pyridin-2-ylsulfonylmethyl)-1,3-thiazole?
The InChIKey is LUHPTBVRPXOBQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O4S2/c20-25(21,17-3-1-2-6-18-17)11-16-19-13(10-24-16)12-4-5-14-15(9-12)23-8-7-22-14/h1-6,9-10H,7-8,11H2.
What are the key properties of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(pyridin-2-ylsulfonylmethyl)-1,3-thiazole?
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(pyridin-2-ylsulfonylmethyl)-1,3-thiazole has a molecular weight of 374.44 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(pyridin-2-ylsulfonylmethyl)-1,3-thiazole is sourced from PubChem (CID 2747295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).