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1949816-02-7 | 4-methyl-2-(1-methylpiperidin-4-yl)thiazole-5-carboxylic acid dihydrochloride
CAS No: 1949816-02-7 Catalog No: AG01FMOM MDL No:MFCD29993043
Product Description
Catalog Number:
AG01FMOM
Chemical Name:
4-methyl-2-(1-methylpiperidin-4-yl)thiazole-5-carboxylic acid dihydrochloride
CAS Number:
1949816-02-7
Molecular Formula:
C11H18Cl2N2O2S
Molecular Weight:
313.2438
MDL Number:
MFCD29993043
IUPAC Name:
4-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazole-5-carboxylic acid;dihydrochloride
InChI:
InChI=1S/C11H16N2O2S.2ClH/c1-7-9(11(14)15)16-10(12-7)8-3-5-13(2)6-4-8;;/h8H,3-6H2,1-2H3,(H,14,15);2*1H
InChI Key:
JAUWKOIPWOVPBX-UHFFFAOYSA-N
SMILES:
CN1CCC(CC1)c1nc(c(s1)C(=O)O)C.Cl.Cl
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.047g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
313.237g/mol
Monoisotopic Mass:
312.047g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
81.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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