4-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2-pyridin-3-yl-1,3-thiazole

C14H10N2O2S2 — CID 84715807

IUPAC4-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2-pyridin-3-yl-1,3-thiazole
SMILESc1cncc(-c2nc(-c3scc4c3OCCO4)cs2)c1
InChIInChI=1S/C14H10N2O2S2/c1-2-9(6-15-3-1)14-16-10(7-20-14)13-12-11(8-19-13)17-4-5-18-12/h1-3,6-8H,4-5H2
InChIKeyVSEBHCPEYWKGEH-UHFFFAOYSA-N
MW302.38 g/mol
LogP3.70
Rot. Bonds2

About 4-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2-pyridin-3-yl-1,3-thiazole

4-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2-pyridin-3-yl-1,3-thiazole (PubChem CID 84715807) has the molecular formula C14H10N2O2S2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 4-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2-pyridin-3-yl-1,3-thiazole.

Molecular Properties

Compound Name4-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2-pyridin-3-yl-1,3-thiazole
PubChem CID84715807
Molecular FormulaC14H10N2O2S2
Molecular Weight302.38 g/mol
Exact Mass302.02
IUPAC Name4-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2-pyridin-3-yl-1,3-thiazole
SMILESc1cncc(-c2nc(-c3scc4c3OCCO4)cs2)c1
InChIInChI=1S/C14H10N2O2S2/c1-2-9(6-15-3-1)14-16-10(7-20-14)13-12-11(8-19-13)17-4-5-18-12/h1-3,6-8H,4-5H2
InChIKeyVSEBHCPEYWKGEH-UHFFFAOYSA-N
XLogP3.70
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2-pyridin-3-yl-1,3-thiazole with MolForge

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Related Compounds

2-(5-bromo-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-4-pyridin-3-yl-1,3-thiazole
CID 84715890
4-pyridin-2-yl-2-pyridin-3-yl-1,3-thiazole
CID 119088487
2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)quinoxaline
CID 141358089
4-(4-fluorophenyl)-2-pyridin-3-yl-1,3-thiazole
CID 592589
ethane;5-phenyl-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 143921758
4-(1H-pyrazol-5-yl)-2-pyridin-3-yl-1,3-thiazole
CID 141340133
[4-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-1,3-thiazol-2-yl]methanamine
CID 84715810
N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 78867431
4-(4-ethylphenyl)-2-pyridin-3-yl-1,3-thiazole
CID 849786
4-(3,4-difluorophenyl)-2-pyridin-3-yl-1,3-thiazole
CID 2800024
4-[2-(1,3-dioxolan-2-yl)ethyl]-2-pyridin-3-yl-1,3-thiazole
CID 18913481
5-(2-pyridin-3-yl-1,3-thiazol-4-yl)furan-3-carboxylic acid
CID 63355636

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2-pyridin-3-yl-1,3-thiazole?
The IUPAC name of 4-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2-pyridin-3-yl-1,3-thiazole (CID 84715807) is 4-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2-pyridin-3-yl-1,3-thiazole.
What is the SMILES notation for 4-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2-pyridin-3-yl-1,3-thiazole?
The canonical SMILES for 4-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2-pyridin-3-yl-1,3-thiazole is c1cncc(-c2nc(-c3scc4c3OCCO4)cs2)c1.
What is the InChIKey of 4-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2-pyridin-3-yl-1,3-thiazole?
The InChIKey is VSEBHCPEYWKGEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O2S2/c1-2-9(6-15-3-1)14-16-10(7-20-14)13-12-11(8-19-13)17-4-5-18-12/h1-3,6-8H,4-5H2.
What are the key properties of 4-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2-pyridin-3-yl-1,3-thiazole?
4-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2-pyridin-3-yl-1,3-thiazole has a molecular weight of 302.38 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2-pyridin-3-yl-1,3-thiazole is sourced from PubChem (CID 84715807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).