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878222-29-8 | N-{[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl}acetamide
CAS No: 878222-29-8 Catalog No: AG01ACLL MDL No:MFCD07853994
Product Description
Catalog Number:
AG01ACLL
Chemical Name:
N-{[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl}acetamide
CAS Number:
878222-29-8
Molecular Formula:
C11H12N2OS2
Molecular Weight:
252.3558
MDL Number:
MFCD07853994
IUPAC Name:
N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]acetamide
InChI:
InChI=1S/C11H12N2OS2/c1-7(14)12-5-9-3-4-11(16-9)10-6-15-8(2)13-10/h3-4,6H,5H2,1-2H3,(H,12,14)
InChI Key:
QFTRDDHQBIPHCI-UHFFFAOYSA-N
SMILES:
CC(=O)NCc1ccc(s1)c1csc(n1)C
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.039g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
252.35g/mol
Monoisotopic Mass:
252.039g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
98.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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