4-Methyl-2-[(1,3-thiazol-2-ylamino)methyl]phenol

HCID 891102

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Basic information

CAS: 692283-49-1
Standard SMILES: Cc1ccc(O)c(CNc2nccs2)c1
InChIKey: BJCRDJCAGQQMRU-UHFFFAOYSA-N
Molecular formula: C11H12N2OS
Average molar mass: 220.29 g/mol
Monoisotopic mass: 220.06703418

Names & identifiers

Preferred name: 4-Methyl-2-[(1,3-thiazol-2-ylamino)methyl]phenol
IUPAC: 4-methyl-2-[(1,3-thiazol-2-ylamino)methyl]phenol

Names & synonyms

4-methyl-2-[(1,3-thiazol-2-ylamino)methyl]phenol692283-49-14-methyl-2-((thiazol-2-ylamino)methyl)phenolMLS001183634CHEMBL1461000DTXSID601321869HMS2818P05STK040598AKOS005382769SMR000502805SR-01000263074SR-01000263074-1

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4-Methyl-2-{[(1,3-thiazol-2-yl)amino]methyl}phenol

Database identifiers

CAS: 692283-49-1
PubChem CID: 891102
DTXSID: DTXSID601321869
ChEMBL: CHEMBL1461000

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 73.4 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 15
Formal charge: 0
Complexity: 203

Experimental & physicochemical properties

Solubility7.4 [ug/mL] (The mean of the results at pH 7.4)

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