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

C11H14N2OS — CID 23053806

IUPAC5,7-dimethyl-3-prop-2-ynoxy-6,7-dihydro-4H-[1,2]thiazolo[4,5-c]pyridine
SMILESC#CCOc1nsc2c1CN(C)CC2C
InChIInChI=1S/C11H14N2OS/c1-4-5-14-11-9-7-13(3)6-8(2)10(9)15-12-11/h1,8H,5-7H2,2-3H3
InChIKeyBZCLHOQTTZAMGK-UHFFFAOYSA-N
MW222.31 g/mol
LogP1.70
Rot. Bonds2

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

5,7-dimethyl-3-prop-2-ynoxy-6,7-dihydro-4H-[1,2]thiazolo[4,5-c]pyridine (PubChem CID 23053806) has the molecular formula C11H14N2OS and a molecular weight of 222.31 g/mol. Its IUPAC name is 5,7-dimethyl-3-prop-2-ynoxy-6,7-dihydro-4H-[1,2]thiazolo[4,5-c]pyridine.

Molecular Properties

Compound Name5,7-dimethyl-3-prop-2-ynoxy-6,7-dihydro-4H-[1,2]thiazolo[4,5-c]pyridine
PubChem CID23053806
Molecular FormulaC11H14N2OS
Molecular Weight222.31 g/mol
Exact Mass222.08
IUPAC Name5,7-dimethyl-3-prop-2-ynoxy-6,7-dihydro-4H-[1,2]thiazolo[4,5-c]pyridine
SMILESC#CCOc1nsc2c1CN(C)CC2C
InChIInChI=1S/C11H14N2OS/c1-4-5-14-11-9-7-13(3)6-8(2)10(9)15-12-11/h1,8H,5-7H2,2-3H3
InChIKeyBZCLHOQTTZAMGK-UHFFFAOYSA-N
XLogP1.70
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 51.70
H-Bond Donors ≤ 50
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 5,7-dimethyl-3-prop-2-ynoxy-6,7-dihydro-4H-[1,2]thiazolo[4,5-c]pyridine?
The IUPAC name of 5,7-dimethyl-3-prop-2-ynoxy-6,7-dihydro-4H-[1,2]thiazolo[4,5-c]pyridine (CID 23053806) is 5,7-dimethyl-3-prop-2-ynoxy-6,7-dihydro-4H-[1,2]thiazolo[4,5-c]pyridine.
What is the SMILES notation for 5,7-dimethyl-3-prop-2-ynoxy-6,7-dihydro-4H-[1,2]thiazolo[4,5-c]pyridine?
The canonical SMILES for 5,7-dimethyl-3-prop-2-ynoxy-6,7-dihydro-4H-[1,2]thiazolo[4,5-c]pyridine is C#CCOc1nsc2c1CN(C)CC2C.
What is the InChIKey of 5,7-dimethyl-3-prop-2-ynoxy-6,7-dihydro-4H-[1,2]thiazolo[4,5-c]pyridine?
The InChIKey is BZCLHOQTTZAMGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS/c1-4-5-14-11-9-7-13(3)6-8(2)10(9)15-12-11/h1,8H,5-7H2,2-3H3.
What are the key properties of 5,7-dimethyl-3-prop-2-ynoxy-6,7-dihydro-4H-[1,2]thiazolo[4,5-c]pyridine?
5,7-dimethyl-3-prop-2-ynoxy-6,7-dihydro-4H-[1,2]thiazolo[4,5-c]pyridine has a molecular weight of 222.31 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-3-prop-2-ynoxy-6,7-dihydro-4H-[1,2]thiazolo[4,5-c]pyridine is sourced from PubChem (CID 23053806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).