Basic information
- Standard SMILES
Cc1nc(C)c(-c2ccnc(Nc3ccc(N(C)C)c([N+](=O)[O-])c3)n2)s1- InChIKey
MYHBMTAGTIOCHM-UHFFFAOYSA-N- Molecular formula
- C17H18N6O2S
- Average molar mass
- 370.4 g/mol
Names & identifiers
- Preferred name
- N~4~-[4-(2,4-Dimethyl-1,3-Thiazol-5-Yl)pyrimidin-2-Yl]-N~1~,N~1~-Dimethyl-2-Nitrobenzene-1,4-Diamine
- IUPAC
- 4-N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]-1-N,1-N-dimethyl-2-nitrobenzene-1,4-diamine
Names & synonyms
N~4~-[4-(2,4-Dimethyl-1,3-Thiazol-5-Yl)pyrimidin-2-Yl]-N~1~,N~1~-Dimethyl-2-Nitrobenzene-1,4-Diamine2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 38BDBM8067CHEMBL295484CS19SCHEMBL4798545SCHEMBL29369233BDBM91761MYHBMTAGTIOCHM-UHFFFAOYSA-N4-N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]-1-N,1-N-dimethyl-2-nitrobenzene-1,4-diamineQ27451814N4-[4-(2,4-Dimethylthiazol-5-yl)pyrimidin-2-yl]N1,N1-dimethyl-2-nitrobenzene-1,4-diamine
Show more names
N4-[4-(2,4-Dimethyl-thiazol-5-yl)-pyrimidin-2-yl]-N1,N1-dimethyl-2-nitro-benzene-1,4-diamine
Database identifiers
- PubChem CID
- 6539302
- ChEMBL
CHEMBL295484
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 128 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 490
Related reactions
2 records
Compound notes
Loading…