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N-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]-2-methylpropanamide

N-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]-2-methylpropanamide

CAS: 1428450-95-6

Formula: C13H14N2O3S

SMILES: CC(C)C(=O)NC1=NC(=CS1)C1=CC=C(O)C=C1O

IUPAC: N-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]-2-methylpropanamide

InChI: InChI=1S/C13H14N2O3S/c1-7(2)12(18)15-13-14-10(6-19-13)9-4-3-8(16)5-11(9)17/h3-7,16-17H,1-2H3,(H,14,15,18)

Composition: C (56.10%), H (5.07%), N (10.07%), O (17.24%), S (11.52%)

Molar Mass: 278.33

Atom Count: 33

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 278.072513493
Formal Charge 0
FSP3 0.23
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 3
InChIKey WIDNAJNXDPHROL-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 73.53
Topological Polar Surface Area 82.45
Polarizability 28.85
Ring Count 2
Rotatable Bond Count 3

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