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1166227-08-2 | 1,2-Pyrrolidinedicarboxamide, N1-[2-(1,1-dimethylethyl)-4'-methyl[4,5'-bithiazol]-2'-yl]-, (2S)-
CAS No: 1166227-08-2 Catalog No: AG000CVY MDL No:MFCD22378485
Product Description
Catalog Number:
AG000CVY
Chemical Name:
1,2-Pyrrolidinedicarboxamide, N1-[2-(1,1-dimethylethyl)-4'-methyl[4,5'-bithiazol]-2'-yl]-, (2S)-
CAS Number:
1166227-08-2
Molecular Formula:
C17H23N5O2S2
Molecular Weight:
393.5268
MDL Number:
MFCD22378485
IUPAC Name:
(2S)-1-N-[5-(2-tert-butyl-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide
InChI:
InChI=1S/C17H23N5O2S2/c1-9-12(10-8-25-14(20-10)17(2,3)4)26-15(19-9)21-16(24)22-7-5-6-11(22)13(18)23/h8,11H,5-7H2,1-4H3,(H2,18,23)(H,19,21,24)/t11-/m0/s1
InChI Key:
HBPXWEPKNBHKAX-NSHDSACASA-N
SMILES:
NC(=O)[C@@H]1CCCN1C(=O)Nc1nc(c(s1)c1csc(n1)C(C)(C)C)C
Properties
Complexity:
556
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
393.129g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
393.524g/mol
Monoisotopic Mass:
393.129g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
158A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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