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(2R)-N-(1,,3-thiazol-2-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carb

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摘 要: (2R)-N-(1,,3-thiazol-2-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide,Canonical SMILES: C1CC(N(C1)C(=O)C2=CC=CS2)C(=O)NC3=NC=CS3,Isomeric SMILES: C1C[C@@H](N(C1)C(=O)C2=CC=CS2)C(=O)NC3=NC=CS3,InChI: InChI=1/C13H13N3O2S2/c17-11(15-13-14-5-8-20
[Synonyms]

[Structure]
 (2R)-N-(1,,3-thiazol-2-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carb

[ Properties Computed from Structure]
Molecular Weight307.39122 [g/mol]
Molecular FormulaC13H13N3O2S2
XLogP0.5
H-Bond Donor1
H-Bond Acceptor3
Rotatable Bond Count3
Tautomer Count3
Exact Mass307.044918
MonoIsotopic Mass307.044918
Topological Polar Surface Area62.3
Heavy Atom Count20
Formal Charge0
Complexity394
Isotope Atom Count0
Defined Atom StereoCenter Count1
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: (2R)-N-(1,
3-thiazol-2-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
Canonical SMILES: C1CC(N(C1)C(=O)C2=CC=CS2)C(=O)NC3=NC=CS3
Isomeric SMILES: C1C[C@@H](N(C1)C(=O)C2=CC=CS2)C(=O)NC3=NC=CS3
InChI: InChI=1/C13H13N3O2S2/c17-11(15-13-14-5-8-20-13)9-3-1-6-16(9)12(18)10-4-
2-7-19-10/h2,4-5,7-9H,1,3,6H2,(H,14,15,17)/t9-/m1/s1/f/h15H

 
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