4,4-Dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]thian-3-amine
Basic information
- CAS
1534482-04-6- Standard SMILES
Cc1nc(CNC2CSCCC2(C)C)cs1- InChIKey
NVCVEZWXGBTRCG-UHFFFAOYSA-N- Molecular formula
- C12H20N2S2
- Average molar mass
- 256.4 g/mol
- Monoisotopic mass
- 256.10679099
Names & identifiers
- Preferred name
- 4,4-Dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]thian-3-amine
- IUPAC
- 4,4-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]thian-3-amine
Names & synonyms
DTXSID801138288AKOS0185084754,4-Dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]thian-3-amine4-Thiazolemethanamine, 2-methyl-N-(tetrahydro-4,4-dimethyl-2H-thiopyran-3-yl)-1534482-04-6
Database identifiers
- CAS
1534482-04-6- PubChem CID
- 79948873
- DTXSID
DTXSID801138288
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 78.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 233
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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