Basic information
- CAS
21447-40-5- Standard SMILES
Cc1ccc(C(=O)Nc2nccs2)cc1N(CCCl)CCCl- InChIKey
QGFGZTLOUOJUQB-UHFFFAOYSA-N- Molecular formula
- C15H17Cl2N3OS
- Average molar mass
- 358.3 g/mol
- Monoisotopic mass
- 357.0469387
Names & identifiers
- Preferred name
- p-Toluamide, 3-(bis(2-chloroethyl)amino)-N-(2-thiazolyl)-
- IUPAC
- 3-[bis(2-chloroethyl)amino]-4-methyl-N-(1,3-thiazol-2-yl)benzamide
- English name
- 3-[Bis(2-chloroethyl)amino]-4-methyl-N-(2-thiazolyl)benzamide
- Molecular formula
- C15H17Cl2N3OS
- Molecular weight
- 358.29
Names & synonyms
21447-40-5BRN 15976273-(Bis(2-chloroethyl)amino)-N-(2-thiazolyl)-p-toluamidep-Toluamide, 3-(bis(2-chloroethyl)amino)-N-(2-thiazolyl)-RefChem:367750DTXSID409440353-[Bis(2-chloroethyl)amino]-4-methyl-N-(2-thiazolyl)benzamide3-[Bis(2-chloroethyl)amino]-4-methyl-N-(1,3-thiazol-2-yl)benzene-1-carboximidic acidBenzamide, 3-[bis(2-chloroethyl)amino]-4-methyl-N-2-thiazolyl-
Database identifiers
- CAS
21447-40-5- PubChem CID
- 88905
- DTXSID
DTXSID40944035- Nikkaji
- J48.880A
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 73.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 356
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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