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

C9H10N2OS — CID 23053800

IUPAC3-prop-2-ynoxy-4,5,6,7-tetrahydro-[1,2]thiazolo[4,5-c]pyridine
SMILESC#CCOc1nsc2c1CNCC2
InChIInChI=1S/C9H10N2OS/c1-2-5-12-9-7-6-10-4-3-8(7)13-11-9/h1,10H,3-6H2
InChIKeySLYAUUONNVCFJW-UHFFFAOYSA-N
MW194.26 g/mol
LogP0.80
Rot. Bonds2

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

3-prop-2-ynoxy-4,5,6,7-tetrahydro-[1,2]thiazolo[4,5-c]pyridine (PubChem CID 23053800) has the molecular formula C9H10N2OS and a molecular weight of 194.26 g/mol. Its IUPAC name is 3-prop-2-ynoxy-4,5,6,7-tetrahydro-[1,2]thiazolo[4,5-c]pyridine.

Molecular Properties

Compound Name3-prop-2-ynoxy-4,5,6,7-tetrahydro-[1,2]thiazolo[4,5-c]pyridine
PubChem CID23053800
Molecular FormulaC9H10N2OS
Molecular Weight194.26 g/mol
Exact Mass194.05
IUPAC Name3-prop-2-ynoxy-4,5,6,7-tetrahydro-[1,2]thiazolo[4,5-c]pyridine
SMILESC#CCOc1nsc2c1CNCC2
InChIInChI=1S/C9H10N2OS/c1-2-5-12-9-7-6-10-4-3-8(7)13-11-9/h1,10H,3-6H2
InChIKeySLYAUUONNVCFJW-UHFFFAOYSA-N
XLogP0.80
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-prop-2-ynoxy-4,5,6,7-tetrahydro-[1,2]thiazolo[4,5-c]pyridine?
The IUPAC name of 3-prop-2-ynoxy-4,5,6,7-tetrahydro-[1,2]thiazolo[4,5-c]pyridine (CID 23053800) is 3-prop-2-ynoxy-4,5,6,7-tetrahydro-[1,2]thiazolo[4,5-c]pyridine.
What is the SMILES notation for 3-prop-2-ynoxy-4,5,6,7-tetrahydro-[1,2]thiazolo[4,5-c]pyridine?
The canonical SMILES for 3-prop-2-ynoxy-4,5,6,7-tetrahydro-[1,2]thiazolo[4,5-c]pyridine is C#CCOc1nsc2c1CNCC2.
What is the InChIKey of 3-prop-2-ynoxy-4,5,6,7-tetrahydro-[1,2]thiazolo[4,5-c]pyridine?
The InChIKey is SLYAUUONNVCFJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2OS/c1-2-5-12-9-7-6-10-4-3-8(7)13-11-9/h1,10H,3-6H2.
What are the key properties of 3-prop-2-ynoxy-4,5,6,7-tetrahydro-[1,2]thiazolo[4,5-c]pyridine?
3-prop-2-ynoxy-4,5,6,7-tetrahydro-[1,2]thiazolo[4,5-c]pyridine has a molecular weight of 194.26 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-ynoxy-4,5,6,7-tetrahydro-[1,2]thiazolo[4,5-c]pyridine is sourced from PubChem (CID 23053800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).