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162702-36-5 | 3-methyl-5-(3-methylbutanamido)isothiazole-4-carboxamide
CAS No: 162702-36-5 Catalog No: AG01DHDV MDL No:MFCD26395869
Product Description
Catalog Number:
AG01DHDV
Chemical Name:
3-methyl-5-(3-methylbutanamido)isothiazole-4-carboxamide
CAS Number:
162702-36-5
Molecular Formula:
C10H15N3O2S
Molecular Weight:
241.3100
MDL Number:
MFCD26395869
IUPAC Name:
3-methyl-5-(3-methylbutanoylamino)-1,2-thiazole-4-carboxamide
InChI:
InChI=1S/C10H15N3O2S/c1-5(2)4-7(14)12-10-8(9(11)15)6(3)13-16-10/h5H,4H2,1-3H3,(H2,11,15)(H,12,14)
InChI Key:
MVKCUMPKGCUPIW-UHFFFAOYSA-N
SMILES:
CC(CC(=O)Nc1snc(c1C(=O)N)C)C
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.088g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
241.309g/mol
Monoisotopic Mass:
241.088g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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