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ethyl 2-amino-4-phenyl-1,3-thiazole-5-carboxylate

ethyl 2-amino-4-phenyl-1,3-thiazole-5-carboxylate

CAS: 64399-23-1

Formula: C12H12N2O2S

SMILES: CCOC(=O)C1=C(N=C(N)S1)C1=CC=CC=C1

IUPAC: ethyl 2-amino-4-phenyl-1,3-thiazole-5-carboxylate

InChI: InChI=1S/C12H12N2O2S/c1-2-16-11(15)10-9(14-12(13)17-10)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H2,13,14)

Composition: C (58.05%), H (4.87%), N (11.28%), O (12.89%), S (12.91%)

Molar Mass: 248.3

Atom Count: 29

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 248.061948808
Formal Charge 0
FSP3 0.17
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey OZMXFXOHCUEEPD-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 66.76
Topological Polar Surface Area 65.21
Polarizability 26.47
Ring Count 2
Rotatable Bond Count 4

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Life Chemicals USA, Inc.
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