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Home > Bromides > 1009378-44-2
1009378-44-2 | 5-Thiazolecarboxamide, 2-bromo-4-methyl-N-(3-pyridinylmethyl)-
CAS No: 1009378-44-2 Catalog No: AG000397 MDL No:
Product Description
Catalog Number:
AG000397
Chemical Name:
5-Thiazolecarboxamide, 2-bromo-4-methyl-N-(3-pyridinylmethyl)-
CAS Number:
1009378-44-2
Molecular Formula:
C11H10BrN3OS
Molecular Weight:
312.1856
IUPAC Name:
2-bromo-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
InChI:
InChI=1S/C11H10BrN3OS/c1-7-9(17-11(12)15-7)10(16)14-6-8-3-2-4-13-5-8/h2-5H,6H2,1H3,(H,14,16)
InChI Key:
METLDSYYZSNANU-UHFFFAOYSA-N
SMILES:
Brc1nc(c(s1)C(=O)NCc1cccnc1)C
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.973g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
312.185g/mol
Monoisotopic Mass:
310.973g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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