chempirical

Tinoridine hydrochloride

C17H21ClN2O2SCAS 25913-34-2352.88 g/mol

Open in Covalent MOL file
OONH2SNHCl
EsterPrimary amineTertiary amine

Properties

Molecular formula
C17H21ClN2O2S
Molar mass
352.88 g/mol
Exact mass
352.1012 Da
Melting point
234–235 °C (decomposes)
logP
3.49Crippen estimate
Polar surface area
55.6 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
4

Identifiers

CAS number
25913-34-2
SMILES
CCOC(=O)c1c(N)sc2c1CCN(Cc1ccccc1)C2.Cl
InChIKey
LMAQHEGFQZGATE-UHFFFAOYSA-N
InChI
InChI=1S/C17H20N2O2S.ClH/c1-2-21-17(20)15-13-8-9-19(11-14(13)22-16(15)18)10-12-6-4-3-5-7-12;/h3-7H,2,8-11,18H2,1H3;1H

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Names and synonyms

5 names
  • Thieno[2,3-c]pyridine-3-carboxylic acid, 2-amino-4,5,6,7-tetrahydro-6-(phenylmethyl)-, ethyl ester, hydrochloride (1:1)
  • Thieno[2,3-c]pyridine-3-carboxylic acid, 2-amino-6-benzyl-4,5,6,7-tetrahydro-, ethyl ester, monohydrochloride
  • Thieno[2,3-c]pyridine-3-carboxylic acid, 2-amino-4,5,6,7-tetrahydro-6-(phenylmethyl)-, ethyl ester, monohydrochloride
  • Y-3642 HCl
  • 2-Amino-3-ethoxycarbonyl-6-benzyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine hydrochloride

Work with Tinoridine hydrochloride

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

Ethyl 2-amino-4,5,6,7-tetrahydrobenzo[B]thiophene-3-carboxylate4506-71-254 % similar Ethyl 2-amino-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate4815-29-654 % similar 2-Amino-3-carboethoxy-5-methyl-4-phenylthiophene4815-37-647 % similar 2-Amino-3-(ethoxycarbonyl)-4-phenylthiophene4815-36-544 % similar Ethyl 1-benzyl-3-oxopiperidine-4-carboxylate hydrochloride52763-21-042 % similar Ethyl 1-benzyl-4-oxopiperidine-3-carboxylate hydrochloride1454-53-142 % similar Ethyl 2-amino-5-phenylthiophene-3-carboxylate4815-34-341 % similar Ethyl 1-(phenylmethyl)-4-piperidinecarboxylate24228-40-840 % similar

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

Same formula

Hexythiazox78587-05-0

Elsewhere

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