6-[1-(1,3-thiazolidin-3-yl)ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine

C12H16N2O2S — CID 146283763

IUPAC6-[1-(1,3-thiazolidin-3-yl)ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
SMILESCC(c1ccc2c(n1)OCCO2)N1CCSC1
InChIInChI=1S/C12H16N2O2S/c1-9(14-4-7-17-8-14)10-2-3-11-12(13-10)16-6-5-15-11/h2-3,9H,4-8H2,1H3
InChIKeyVKLLPIBZXZAGHB-UHFFFAOYSA-N
MW252.34 g/mol
LogP1.92
Rot. Bonds2

About 6-[1-(1,3-thiazolidin-3-yl)ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine

6-[1-(1,3-thiazolidin-3-yl)ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine (PubChem CID 146283763) has the molecular formula C12H16N2O2S and a molecular weight of 252.34 g/mol. Its IUPAC name is 6-[1-(1,3-thiazolidin-3-yl)ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine.

Molecular Properties

Compound Name6-[1-(1,3-thiazolidin-3-yl)ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
PubChem CID146283763
Molecular FormulaC12H16N2O2S
Molecular Weight252.34 g/mol
Exact Mass252.09
IUPAC Name6-[1-(1,3-thiazolidin-3-yl)ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
SMILESCC(c1ccc2c(n1)OCCO2)N1CCSC1
InChIInChI=1S/C12H16N2O2S/c1-9(14-4-7-17-8-14)10-2-3-11-12(13-10)16-6-5-15-11/h2-3,9H,4-8H2,1H3
InChIKeyVKLLPIBZXZAGHB-UHFFFAOYSA-N
XLogP1.92
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-[1-(1,3-thiazolidin-3-yl)ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine with MolForge

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Related Compounds

[(3S)-1-[1-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)ethyl]piperidin-3-yl]methanol;sulfane
CID 162070897
6-[1-[4-[(4-methyl-2-pyridinyl)oxy]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
CID 146287056
6-[1-[3-[(2,6-dimethyl-4-pyridinyl)methyl]-3-fluoropiperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
CID 146286002
6-[1-[3-[(2,6-dimethyl-4-pyridinyl)oxymethyl]-3-methylpyrrolidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
CID 146283730
6-[1-[4-[(2-methyl-6-propan-2-yl-4-pyridinyl)oxy]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
CID 146287149
6-[1-[(3R,4S)-4-[(2,6-dimethyl-4-pyridinyl)methyl]-3-methylpiperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
CID 166727421
6-[1-[(3R,4S)-4-[(2,6-dimethyl-4-pyridinyl)oxy]-3-methylpiperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
CID 153376694
6-[(1R)-1-[(3R)-3-[(2,6-dimethyl-4-pyridinyl)oxymethyl]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
CID 162468296
6-[(1S)-1-[(3R)-3-[(2-methoxy-6-methyl-4-pyridinyl)methyl]-3-methylpyrrolidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
CID 146283838
(2Z,4E)-2,5-diamino-5-[1-[1-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)ethyl]piperidin-4-yl]oxypenta-2,4-dienamide
CID 146287451
6-[1-[4-[[2-methyl-6-(trifluoromethyl)-4-pyridinyl]oxy]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
CID 146287165
6-[1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
CID 146287042

Frequently Asked Questions

What is the IUPAC name of 6-[1-(1,3-thiazolidin-3-yl)ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine?
The IUPAC name of 6-[1-(1,3-thiazolidin-3-yl)ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine (CID 146283763) is 6-[1-(1,3-thiazolidin-3-yl)ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine.
What is the SMILES notation for 6-[1-(1,3-thiazolidin-3-yl)ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine?
The canonical SMILES for 6-[1-(1,3-thiazolidin-3-yl)ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine is CC(c1ccc2c(n1)OCCO2)N1CCSC1.
What is the InChIKey of 6-[1-(1,3-thiazolidin-3-yl)ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine?
The InChIKey is VKLLPIBZXZAGHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S/c1-9(14-4-7-17-8-14)10-2-3-11-12(13-10)16-6-5-15-11/h2-3,9H,4-8H2,1H3.
What are the key properties of 6-[1-(1,3-thiazolidin-3-yl)ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine?
6-[1-(1,3-thiazolidin-3-yl)ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine has a molecular weight of 252.34 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(1,3-thiazolidin-3-yl)ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine is sourced from PubChem (CID 146283763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).