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1118861-77-0 | N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(4-methylphenoxymethyl)-1,3-thiazole-4-carboxamide
CAS No: 1118861-77-0 Catalog No: AG019RZJ MDL No:MFCD11773935
Product Description
Catalog Number:
AG019RZJ
Chemical Name:
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(4-methylphenoxymethyl)-1,3-thiazole-4-carboxamide
CAS Number:
1118861-77-0
Molecular Formula:
C15H15N3O2S2
Molecular Weight:
333.4285
MDL Number:
MFCD11773935
IUPAC Name:
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide
InChI:
InChI=1S/C15H15N3O2S2/c1-10-2-4-11(5-3-10)20-8-13-17-12(9-22-13)14(19)18-15-16-6-7-21-15/h2-5,9H,6-8H2,1H3,(H,16,18,19)
InChI Key:
DTLZSVDOXWDLBS-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)OCc1scc(n1)C(=O)NC1=NCCS1
Properties
Complexity:
425
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.061g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
333.424g/mol
Monoisotopic Mass:
333.061g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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