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

C10H12N2OS — CID 23053809

IUPAC7-methyl-3-prop-2-ynoxy-4,5,6,7-tetrahydro-[1,2]thiazolo[4,5-c]pyridine
SMILESC#CCOc1nsc2c1CNCC2C
InChIInChI=1S/C10H12N2OS/c1-3-4-13-10-8-6-11-5-7(2)9(8)14-12-10/h1,7,11H,4-6H2,2H3
InChIKeyTUJJAFCGWFLDFE-UHFFFAOYSA-N
MW208.29 g/mol
LogP1.36
Rot. Bonds2

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

7-methyl-3-prop-2-ynoxy-4,5,6,7-tetrahydro-[1,2]thiazolo[4,5-c]pyridine (PubChem CID 23053809) has the molecular formula C10H12N2OS and a molecular weight of 208.29 g/mol. Its IUPAC name is 7-methyl-3-prop-2-ynoxy-4,5,6,7-tetrahydro-[1,2]thiazolo[4,5-c]pyridine.

Molecular Properties

Compound Name7-methyl-3-prop-2-ynoxy-4,5,6,7-tetrahydro-[1,2]thiazolo[4,5-c]pyridine
PubChem CID23053809
Molecular FormulaC10H12N2OS
Molecular Weight208.29 g/mol
Exact Mass208.07
IUPAC Name7-methyl-3-prop-2-ynoxy-4,5,6,7-tetrahydro-[1,2]thiazolo[4,5-c]pyridine
SMILESC#CCOc1nsc2c1CNCC2C
InChIInChI=1S/C10H12N2OS/c1-3-4-13-10-8-6-11-5-7(2)9(8)14-12-10/h1,7,11H,4-6H2,2H3
InChIKeyTUJJAFCGWFLDFE-UHFFFAOYSA-N
XLogP1.36
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 51.36
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 7-methyl-3-prop-2-ynoxy-4,5,6,7-tetrahydro-[1,2]thiazolo[4,5-c]pyridine?
The IUPAC name of 7-methyl-3-prop-2-ynoxy-4,5,6,7-tetrahydro-[1,2]thiazolo[4,5-c]pyridine (CID 23053809) is 7-methyl-3-prop-2-ynoxy-4,5,6,7-tetrahydro-[1,2]thiazolo[4,5-c]pyridine.
What is the SMILES notation for 7-methyl-3-prop-2-ynoxy-4,5,6,7-tetrahydro-[1,2]thiazolo[4,5-c]pyridine?
The canonical SMILES for 7-methyl-3-prop-2-ynoxy-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-ynoxy-4,5,6,7-tetrahydro-[1,2]thiazolo[4,5-c]pyridine?
The InChIKey is TUJJAFCGWFLDFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2OS/c1-3-4-13-10-8-6-11-5-7(2)9(8)14-12-10/h1,7,11H,4-6H2,2H3.
What are the key properties of 7-methyl-3-prop-2-ynoxy-4,5,6,7-tetrahydro-[1,2]thiazolo[4,5-c]pyridine?
7-methyl-3-prop-2-ynoxy-4,5,6,7-tetrahydro-[1,2]thiazolo[4,5-c]pyridine has a molecular weight of 208.29 g/mol, XLogP of 1.36, 2 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-ynoxy-4,5,6,7-tetrahydro-[1,2]thiazolo[4,5-c]pyridine is sourced from PubChem (CID 23053809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).