3-ethoxy-4,5,6,7-tetrahydro-[1,2]thiazolo[4,5-c]pyridine

C8H12N2OS — CID 23053816

IUPAC3-ethoxy-4,5,6,7-tetrahydro-[1,2]thiazolo[4,5-c]pyridine
SMILESCCOc1nsc2c1CNCC2
InChIInChI=1S/C8H12N2OS/c1-2-11-8-6-5-9-4-3-7(6)12-10-8/h9H,2-5H2,1H3
InChIKeyALKVNGPDMQURGI-UHFFFAOYSA-N
MW184.26 g/mol
LogP1.19
Rot. Bonds2

About 3-ethoxy-4,5,6,7-tetrahydro-[1,2]thiazolo[4,5-c]pyridine

3-ethoxy-4,5,6,7-tetrahydro-[1,2]thiazolo[4,5-c]pyridine (PubChem CID 23053816) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is 3-ethoxy-4,5,6,7-tetrahydro-[1,2]thiazolo[4,5-c]pyridine.

Molecular Properties

Compound Name3-ethoxy-4,5,6,7-tetrahydro-[1,2]thiazolo[4,5-c]pyridine
PubChem CID23053816
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC Name3-ethoxy-4,5,6,7-tetrahydro-[1,2]thiazolo[4,5-c]pyridine
SMILESCCOc1nsc2c1CNCC2
InChIInChI=1S/C8H12N2OS/c1-2-11-8-6-5-9-4-3-7(6)12-10-8/h9H,2-5H2,1H3
InChIKeyALKVNGPDMQURGI-UHFFFAOYSA-N
XLogP1.19
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-4,5,6,7-tetrahydro-[1,2]thiazolo[4,5-c]pyridine?
The IUPAC name of 3-ethoxy-4,5,6,7-tetrahydro-[1,2]thiazolo[4,5-c]pyridine (CID 23053816) is 3-ethoxy-4,5,6,7-tetrahydro-[1,2]thiazolo[4,5-c]pyridine.
What is the SMILES notation for 3-ethoxy-4,5,6,7-tetrahydro-[1,2]thiazolo[4,5-c]pyridine?
The canonical SMILES for 3-ethoxy-4,5,6,7-tetrahydro-[1,2]thiazolo[4,5-c]pyridine is CCOc1nsc2c1CNCC2.
What is the InChIKey of 3-ethoxy-4,5,6,7-tetrahydro-[1,2]thiazolo[4,5-c]pyridine?
The InChIKey is ALKVNGPDMQURGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS/c1-2-11-8-6-5-9-4-3-7(6)12-10-8/h9H,2-5H2,1H3.
What are the key properties of 3-ethoxy-4,5,6,7-tetrahydro-[1,2]thiazolo[4,5-c]pyridine?
3-ethoxy-4,5,6,7-tetrahydro-[1,2]thiazolo[4,5-c]pyridine has a molecular weight of 184.26 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-4,5,6,7-tetrahydro-[1,2]thiazolo[4,5-c]pyridine is sourced from PubChem (CID 23053816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).