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80712-45-4 | N-(DIMETHYLCARBAMOYL)-N-METHYL-4-(1,3-THIAZOL-2-YL)PIPERAZINE-1-CARBOXAMIDE
CAS No: 80712-45-4 Catalog No: AG008M58 MDL No:
Product Description
Catalog Number:
AG008M58
Chemical Name:
N-(DIMETHYLCARBAMOYL)-N-METHYL-4-(1,3-THIAZOL-2-YL)PIPERAZINE-1-CARBOXAMIDE
CAS Number:
80712-45-4
Molecular Formula:
C12H19N5O2S
Molecular Weight:
297.3766
IUPAC Name:
N-(dimethylcarbamoyl)-N-methyl-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide
InChI:
InChI=1S/C12H19N5O2S/c1-14(2)11(18)15(3)12(19)17-7-5-16(6-8-17)10-13-4-9-20-10/h4,9H,5-8H2,1-3H3
InChI Key:
DUWZDTXSIHRVBD-UHFFFAOYSA-N
SMILES:
O=C(N(C(=O)N1CCN(CC1)c1nccs1)C)N(C)C
Properties
Complexity:
371
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.126g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
297.377g/mol
Monoisotopic Mass:
297.126g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
88.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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