[4-(4-Methoxyphenyl)-1,2,3-thiadiazol-5-yl](thiomorpholin-4-yl)methanone
Basic information
- CAS
1190241-34-9- Standard SMILES
COc1ccc(-c2nnsc2C(=O)N2CCSCC2)cc1- InChIKey
YVMJDWSQYODFJU-UHFFFAOYSA-N- Molecular formula
- C14H15N3O2S2
- Average molar mass
- 321.4 g/mol
- Monoisotopic mass
- 321.06056908
Names & identifiers
- Preferred name
- [4-(4-Methoxyphenyl)-1,2,3-thiadiazol-5-yl](thiomorpholin-4-yl)methanone
- IUPAC
- [4-(4-methoxyphenyl)thiadiazol-5-yl]-thiomorpholin-4-ylmethanone
- English name
- [4-(4-methoxyphenyl)-1,2,3-thiadiazol-5-yl](thiomorpholin-4-yl)methanone
- Molecular formula
- C14H15N3O2S2
- Molecular weight
- 321.42
Names & synonyms
[4-(4-methoxyphenyl)-1,2,3-thiadiazol-5-yl](thiomorpholin-4-yl)methanone1190241-34-9CHEMBL3443737EiM08-10229STK937690AKOS005667205(4-(4-methoxyphenyl)-1,2,3-thiadiazol-5-yl)(thiomorpholino)methanoneMethanone, [4-(4-methoxyphenyl)-1,2,3-thiadiazol-5-yl]-4-thiomorpholinyl-
Database identifiers
- CAS
1190241-34-9- PubChem CID
- 45492013
- ChEMBL
CHEMBL3443737
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 358
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Compound notes
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