3-Methyl-2-(2-phenyl-6,7-dihydro-4H-thiazolo[5,4-c]pyridine-5-sulfonylmethyl)-butyric Acid

HCID 22337490
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Basic information

Standard SMILES
CC(C)C(CS(=O)(=O)N1CCc2nc(-c3ccccc3)sc2C1)C(=O)O
InChIKey
IOPVEIRYGNXZHY-UHFFFAOYSA-N
Molecular formula
C18H22N2O4S2
Average molar mass
394.5 g/mol
Monoisotopic mass
394.10209953

Names & identifiers

Preferred name
3-Methyl-2-(2-phenyl-6,7-dihydro-4H-thiazolo[5,4-c]pyridine-5-sulfonylmethyl)-butyric Acid
IUPAC
3-methyl-2-[(2-phenyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)sulfonylmethyl]butanoic acid

Names & synonyms

SCHEMBL6347268IOPVEIRYGNXZHY-UHFFFAOYSA-N3-Methyl-2-(2-phenyl-6,7-dihydro-4 H-thiazolo[5,4-c]pyridine-5-sulfonylmethyl)-butyric acid3-Methyl-2-(2-phenyl-6,7-dihydro-4H-thiazolo[5,4-c]pyridine-5-sulfonylmethyl)-butyric Acid

Database identifiers

PubChem CID
22337490

Properties

Computed structural properties

XLogP
2.7
Topological polar surface area
124 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
6
Heavy atoms
26

Related reactions

2 records
New reaction record

Compound notes

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