2-(Pentan-3-yl)thiazole-4-carboxylic acid

HCID 57960593
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Basic information

Standard SMILES
CCC(CC)c1nc(C(=O)O)cs1
InChIKey
PZNQZINOSUTHRB-UHFFFAOYSA-N
Molecular formula
C9H13NO2S
Average molar mass
199.27 g/mol

Names & identifiers

Preferred name
2-(Pentan-3-yl)thiazole-4-carboxylic acid
IUPAC
2-pentan-3-yl-1,3-thiazole-4-carboxylic acid

Names & synonyms

955400-79-0SCHEMBL1246147PZNQZINOSUTHRB-UHFFFAOYSA-NAKOS0115973272-(Pentan-3-yl)thiazole-4-carboxylic acidDB-103392

Database identifiers

PubChem CID
57960593

Properties

Computed structural properties

XLogP
2.7
Topological polar surface area
78.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
13

Related reactions

11 records
New reaction record

Compound notes

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