Benzoic acid, 2-((4,5-dihydro-2-thiazolyl)amino)-5-methyl-
Basic information
- CAS
127627-70-7- Standard SMILES
Cc1ccc(NC2=NCCS2)c(C(=O)O)c1- InChIKey
XJHLTHQFSYYYRJ-UHFFFAOYSA-N- Molecular formula
- C11H12N2O2S
- Average molar mass
- 236.29 g/mol
- Monoisotopic mass
- 236.0619488
Names & identifiers
- Preferred name
- Benzoic acid, 2-((4,5-dihydro-2-thiazolyl)amino)-5-methyl-
- IUPAC
- 2-(4,5-dihydro-1,3-thiazol-2-ylamino)-5-methylbenzoic acid
Names & synonyms
Benzoic acid, 2-((4,5-dihydro-2-thiazolyl)amino)-5-methyl-127627-70-72-((4,5-Dihydro-2-thiazolyl)amino)-5-methylbenzoic acidDTXSID90155614RefChem:326654DTXCID10781052-[(4,5-Dihydro-1,3-thiazol-2-yl)amino]-5-methylbenzoic acid
Database identifiers
- CAS
127627-70-7- PubChem CID
- 3080191
- DTXSID
DTXSID90155614
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 87 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 306
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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