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

C10H14N2OS — CID 23053810

IUPAC7-methyl-3-prop-2-enoxy-4,5,6,7-tetrahydro-[1,2]thiazolo[4,5-c]pyridine
SMILESC=CCOc1nsc2c1CNCC2C
InChIInChI=1S/C10H14N2OS/c1-3-4-13-10-8-6-11-5-7(2)9(8)14-12-10/h3,7,11H,1,4-6H2,2H3
InChIKeyPGXJPUUASZCDOI-UHFFFAOYSA-N
MW210.30 g/mol
LogP1.91
Rot. Bonds3

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

7-methyl-3-prop-2-enoxy-4,5,6,7-tetrahydro-[1,2]thiazolo[4,5-c]pyridine (PubChem CID 23053810) has the molecular formula C10H14N2OS and a molecular weight of 210.30 g/mol. Its IUPAC name is 7-methyl-3-prop-2-enoxy-4,5,6,7-tetrahydro-[1,2]thiazolo[4,5-c]pyridine.

Molecular Properties

Compound Name7-methyl-3-prop-2-enoxy-4,5,6,7-tetrahydro-[1,2]thiazolo[4,5-c]pyridine
PubChem CID23053810
Molecular FormulaC10H14N2OS
Molecular Weight210.30 g/mol
Exact Mass210.08
IUPAC Name7-methyl-3-prop-2-enoxy-4,5,6,7-tetrahydro-[1,2]thiazolo[4,5-c]pyridine
SMILESC=CCOc1nsc2c1CNCC2C
InChIInChI=1S/C10H14N2OS/c1-3-4-13-10-8-6-11-5-7(2)9(8)14-12-10/h3,7,11H,1,4-6H2,2H3
InChIKeyPGXJPUUASZCDOI-UHFFFAOYSA-N
XLogP1.91
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-prop-2-enoxy-4,5,6,7-tetrahydro-[1,2]thiazolo[4,5-c]pyridine?
The IUPAC name of 7-methyl-3-prop-2-enoxy-4,5,6,7-tetrahydro-[1,2]thiazolo[4,5-c]pyridine (CID 23053810) is 7-methyl-3-prop-2-enoxy-4,5,6,7-tetrahydro-[1,2]thiazolo[4,5-c]pyridine.
What is the SMILES notation for 7-methyl-3-prop-2-enoxy-4,5,6,7-tetrahydro-[1,2]thiazolo[4,5-c]pyridine?
The canonical SMILES for 7-methyl-3-prop-2-enoxy-4,5,6,7-tetrahydro-[1,2]thiazolo[4,5-c]pyridine is C=CCOc1nsc2c1CNCC2C.
What is the InChIKey of 7-methyl-3-prop-2-enoxy-4,5,6,7-tetrahydro-[1,2]thiazolo[4,5-c]pyridine?
The InChIKey is PGXJPUUASZCDOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2OS/c1-3-4-13-10-8-6-11-5-7(2)9(8)14-12-10/h3,7,11H,1,4-6H2,2H3.
What are the key properties of 7-methyl-3-prop-2-enoxy-4,5,6,7-tetrahydro-[1,2]thiazolo[4,5-c]pyridine?
7-methyl-3-prop-2-enoxy-4,5,6,7-tetrahydro-[1,2]thiazolo[4,5-c]pyridine has a molecular weight of 210.30 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-prop-2-enoxy-4,5,6,7-tetrahydro-[1,2]thiazolo[4,5-c]pyridine is sourced from PubChem (CID 23053810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).