6-(5-Ethyl-1,3,4-thiadiazol-2-ylthiomethyl)-4-morpholino-2-[6-(2-propenyloxycarbonylamino)-2-pyridylmethylamino]pyridine

HCID 19369722
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Basic information

Standard SMILES
C=CCOC(=O)Nc1cccc(CNc2cc(N3CCOCC3)cc(CSc3nnc(CC)s3)n2)n1
InChIKey
DBBBNAIGFWBSQM-UHFFFAOYSA-N
Molecular formula
C24H29N7O3S2
Average molar mass
527.7 g/mol
Monoisotopic mass
527.17733016

Names & identifiers

Preferred name
6-(5-Ethyl-1,3,4-thiadiazol-2-ylthiomethyl)-4-morpholino-2-[6-(2-propenyloxycarbonylamino)-2-pyridylmethylamino]pyridine
IUPAC
prop-2-enyl N-[6-[[[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-morpholin-4-yl-2-pyridinyl]amino]methyl]-2-pyridinyl]carbamate

Names & synonyms

SCHEMBL7101967DBBBNAIGFWBSQM-UHFFFAOYSA-N6-(5-ethyl-1,3,4-thiadiazol-2-ylthiomethyl)-4-morpholino-2-[6-(2-propenyloxycarbonylamino)-2-pyridylmethylamino]pyridine

Database identifiers

PubChem CID
19369722

Properties

Computed structural properties

XLogP
3.6
Topological polar surface area
168 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
11
Rotatable bonds
12
Heavy atoms
36

Related reactions

1 records
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Linked notes

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