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

C16H12N2O2S — CID 675494

IUPAC4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-3-yl-1,3-thiazole
SMILESc1cncc(-c2nc(-c3ccc4c(c3)OCCO4)cs2)c1
InChIInChI=1S/C16H12N2O2S/c1-2-12(9-17-5-1)16-18-13(10-21-16)11-3-4-14-15(8-11)20-7-6-19-14/h1-5,8-10H,6-7H2
InChIKeyANWZCODVUVJLKC-UHFFFAOYSA-N
MW296.35 g/mol
LogP3.64
Rot. Bonds2

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

4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-3-yl-1,3-thiazole (PubChem CID 675494) has the molecular formula C16H12N2O2S and a molecular weight of 296.35 g/mol. Its IUPAC name is 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-3-yl-1,3-thiazole.

Molecular Properties

Compound Name4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-3-yl-1,3-thiazole
PubChem CID675494
Molecular FormulaC16H12N2O2S
Molecular Weight296.35 g/mol
Exact Mass296.06
IUPAC Name4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-3-yl-1,3-thiazole
SMILESc1cncc(-c2nc(-c3ccc4c(c3)OCCO4)cs2)c1
InChIInChI=1S/C16H12N2O2S/c1-2-12(9-17-5-1)16-18-13(10-21-16)11-3-4-14-15(8-11)20-7-6-19-14/h1-5,8-10H,6-7H2
InChIKeyANWZCODVUVJLKC-UHFFFAOYSA-N
XLogP3.64
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-3-yl-1,3-thiazole?
The IUPAC name of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-3-yl-1,3-thiazole (CID 675494) is 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-3-yl-1,3-thiazole.
What is the SMILES notation for 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-3-yl-1,3-thiazole?
The canonical SMILES for 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-3-yl-1,3-thiazole is c1cncc(-c2nc(-c3ccc4c(c3)OCCO4)cs2)c1.
What is the InChIKey of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-3-yl-1,3-thiazole?
The InChIKey is ANWZCODVUVJLKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O2S/c1-2-12(9-17-5-1)16-18-13(10-21-16)11-3-4-14-15(8-11)20-7-6-19-14/h1-5,8-10H,6-7H2.
What are the key properties of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-3-yl-1,3-thiazole?
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-3-yl-1,3-thiazole has a molecular weight of 296.35 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-3-yl-1,3-thiazole is sourced from PubChem (CID 675494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).