A66

C₁₇H₂₃N₅O₂S₂CAS 1166227-08-2393.52 g/mol

Open in Covalent MOL file

Amide Urea

Properties

Molecular formula: C₁₇H₂₃N₅O₂S₂
Molar mass: 393.52 g/mol
Exact mass: 393.1293 Da
logP: 3.35Crippen estimate
Polar surface area: 101.2 Å²
H-bond donors / acceptors: 2 / 6
Rotatable bonds: 3
Stereocentres: Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

1166227-08-2

SMILES

CC1=C(SC(=N1)NC(=O)N2CCC[C@H]2C(=O)N)C3=CSC(=N3)C(C)(C)C

InChIKey

HBPXWEPKNBHKAX-NSHDSACASA-N

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

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Names and synonyms

1 names

(S)-N1-(2-(tert-Butyl)-4'-methyl-[4,5'-bithiazol]-2'-yl)pyrrolidine-1,2-dicarboxamide

Work with A66

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

D-1-N-Boc-prolinamide70138-72-635 % similar N-Acetylprolinamide16395-58-734 % similar (S)-1-(2-Chloroacetyl)pyrrolidine-2-carboxamide214398-99-933 % similar tert-Butyl 2-carbamoylpiperidine-1-carboxylate388077-74-532 % similar (S)-1-N-Boc-piperidine-2-carboxamide78058-41-032 % similar (S)-1-N-Cbz-prolinamide34079-31-731 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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