L 643441
Basic information
- CAS
78442-39-4- Standard SMILES
NC1=NS(=O)N=C1NCCCOc1cccc(CN2CCCCC2)c1- InChIKey
DUPAVAVETJQPOR-UHFFFAOYSA-N- Molecular formula
- C17H25N5O2S
- Average molar mass
- 363.5 g/mol
- Monoisotopic mass
- 363.17289623
Overview
structure given in first source
Names & identifiers
- Preferred name
- L 643441
- IUPAC
- 1-oxo-3-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]-1,2,5-thiadiazole-3,4-diamine
Names & synonyms
78442-39-4L 643441L-643441L-643,441RefChem:1516401-oxo-3-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]-1,2,5-thiadiazole-3,4-diamine1,2,5-Thiadiazole-3,4-diamine, N-(3-(3-(1-piperidinylmethyl)phenoxy)propyl)-, 1-oxide3-N-(3-(3-(1-Piperidinomethyl)phenoxy)propyl)amino-4-amino-1,2,5-thiadiazole-1-oxideorb1696720DTXSID60999769DUPAVAVETJQPOR-UHFFFAOYSA-NBDBM50404821
Show more names
AKOS0407523063-amino-4-((3-(3-(piperidin-1-ylmethyl)phenoxy)propyl)amino)-1,2,5-thiadiazole 1-oxideT324493-amino-4-[3-(3-piperidinomethylphenoxy)propylamino]-1,2,5-thiadiazole 1-oxide3-Amino-4-[(3-{3-[(piperidin-1-yl)methyl]phenoxy}propyl)amino]-1H-1lambda~4~,2,5-thiadiazol-1-one
Database identifiers
- CAS
78442-39-4- PubChem CID
- 5486883
- DTXSID
DTXSID60999769
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 519
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Related reactions
15 records
Compound notes
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