N-(4,5-Dihydro-2-thiazolyl)-4-(1-methylethoxy)benzamide
Basic information
- CAS
433695-37-5- Standard SMILES
CC(C)Oc1ccc(C(=O)NC2=NCCS2)cc1- InChIKey
RMJHQISSIJTTAF-UHFFFAOYSA-N- Molecular formula
- C13H16N2O2S
- Average molar mass
- 264.35 g/mol
- Monoisotopic mass
- 264.09324893
Names & identifiers
- Preferred name
- N-(4,5-Dihydro-2-thiazolyl)-4-(1-methylethoxy)benzamide
- IUPAC
- N-(4,5-dihydro-1,3-thiazol-2-yl)-4-propan-2-yloxybenzamide
Names & synonyms
433695-37-5N-(4,5-Dihydro-2-thiazolyl)-4-(1-methylethoxy)benzamideRefChem:3615344-isopropoxy-N-(2-thiazolin-2-yl)benzamideMLS000719113SMR000291381N-(4,5-dihydro-1,3-thiazol-2-yl)-4-propan-2-yloxybenzamideCambridge id 6971462cid_802126CHEMBL1438472BDBM49740DTXSID501206884
Show more names
HMS2710E15N-(4,5-dihydro-1,3-thiazol-2-yl)-4-(propan-2-yloxy)benzamideSTK163791AKOS000462798UPCMLD0ENAT5801554:001AP-970/41490049SR-01000247781SR-01000247781-1
Database identifiers
- CAS
433695-37-5- PubChem CID
- 802126
- DTXSID
DTXSID501206884- ChEMBL
CHEMBL1438472
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 76 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 323
Experimental & physicochemical properties
Solubility23.1 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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