4-Methyl-5-(phenylethynyl)-1,3-thiazole

HCID 22291336
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
Cc1ncsc1C#Cc1ccccc1
InChIKey
BSCURROQEDFMLI-UHFFFAOYSA-N
Molecular formula
C12H9NS
Average molar mass
199.27 g/mol
Monoisotopic mass
199.04557046

Names & identifiers

Preferred name
4-Methyl-5-(phenylethynyl)-1,3-thiazole
IUPAC
4-methyl-5-(2-phenylethynyl)-1,3-thiazole

Names & synonyms

SCHEMBL6310634BSCURROQEDFMLI-UHFFFAOYSA-N4-methyl-5-(phenylethynyl)-1,3-thiazole

Database identifiers

PubChem CID
22291336

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
41.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
14

Related reactions

2 records
New reaction record

Compound notes

Loading…