5-methyl-2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine

C15H14N2S — CID 71712584

IUPAC5-methyl-2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
SMILESCN1CCc2nc(C#Cc3ccccc3)sc2C1
InChIInChI=1S/C15H14N2S/c1-17-10-9-13-14(11-17)18-15(16-13)8-7-12-5-3-2-4-6-12/h2-6H,9-11H2,1H3
InChIKeyPDXAYWCWEYQJCV-UHFFFAOYSA-N
MW254.36 g/mol
LogP2.53
Rot. Bonds

About 5-methyl-2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine

5-methyl-2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine (PubChem CID 71712584) has the molecular formula C15H14N2S and a molecular weight of 254.36 g/mol. Its IUPAC name is 5-methyl-2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine.

Molecular Properties

Compound Name5-methyl-2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
PubChem CID71712584
Molecular FormulaC15H14N2S
Molecular Weight254.36 g/mol
Exact Mass254.09
IUPAC Name5-methyl-2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
SMILESCN1CCc2nc(C#Cc3ccccc3)sc2C1
InChIInChI=1S/C15H14N2S/c1-17-10-9-13-14(11-17)18-15(16-13)8-7-12-5-3-2-4-6-12/h2-6H,9-11H2,1H3
InChIKeyPDXAYWCWEYQJCV-UHFFFAOYSA-N
XLogP2.53
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-methyl-2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine?
The IUPAC name of 5-methyl-2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine (CID 71712584) is 5-methyl-2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine.
What is the SMILES notation for 5-methyl-2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine?
The canonical SMILES for 5-methyl-2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine is CN1CCc2nc(C#Cc3ccccc3)sc2C1.
What is the InChIKey of 5-methyl-2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine?
The InChIKey is PDXAYWCWEYQJCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2S/c1-17-10-9-13-14(11-17)18-15(16-13)8-7-12-5-3-2-4-6-12/h2-6H,9-11H2,1H3.
What are the key properties of 5-methyl-2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine?
5-methyl-2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine has a molecular weight of 254.36 g/mol, XLogP of 2.53, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine is sourced from PubChem (CID 71712584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).