TM 64; (ξ)-form

AlkaPlorer ID: AK316123

Synonym: None

IUPAC Name: 2-(1-aminoethyl)-N-[2-(1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide

Structure

SMILES: CC(N)C1=NC(C(=O)NCCC2=CNC3=CC=CC=C23)=CS1

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InChI: InChI=1S/C16H18N4OS/c1-10(17)16-20-14(9-22-16)15(21)18-7-6-11-8-19-13-5-3-2-4-12(11)13/h2-5,8-10,19H,6-7,17H2,1H3,(H,18,21)

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InChIKey: XWYCGSFRLLWGTP-UHFFFAOYSA-N

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Reference

PubChem CID: 162853107

CAS: 58887-22-2

COCONUT: CNP0115693.2

Source

Properties Information

Molecule Weight: 314.41400000000004

TPSA: 83.79999999999998

MolLogP: 2.6166

Number of H-Donors: 3

Number of H-Acceptors: 4

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information