HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
Huagongshe Open Program：[email protected]AI access: llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.7.9
  1. Home
  2. /Compound

5-{[3-(2-Methoxyethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-4-methyl-6-(4-methylpiperidin-1-yl)-2-oxo-1-propyl-1,2-dihydropyridine-3-carbonitrile

HCID 5265481
New noteNew reactionRequest quotesPrint preview
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
7064-11-1
Standard SMILES
CCCn1c(N2CCC(C)CC2)c(C=C2SC(=S)N(CCOC)C2=O)c(C)c(C#N)c1=O
InChIKey
PIJRXGYNCPTVOR-UHFFFAOYSA-N
Molecular formula
C23H30N4O3S2
Average molar mass
474.6 g/mol
Monoisotopic mass
474.17593318

Names & identifiers

Preferred name
5-{[3-(2-Methoxyethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-4-methyl-6-(4-methylpiperidin-1-yl)-2-oxo-1-propyl-1,2-dihydropyridine-3-carbonitrile
IUPAC
5-[[3-(2-methoxyethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-4-methyl-6-(4-methylpiperidin-1-yl)-2-oxo-1-propylpyridine-3-carbonitrile

Names & synonyms

7064-11-1DTXSID104144125-{[3-(2-Methoxyethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-4-methyl-6-(4-methylpiperidin-1-yl)-2-oxo-1-propyl-1,2-dihydropyridine-3-carbonitrile

Database identifiers

CAS
7064-11-1
PubChem CID
5265481
DTXSID
DTXSID10414412

Properties

Computed structural properties

XLogP
3.2
Topological polar surface area
134 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
7
Rotatable bonds
7
Heavy atoms
32
Formal charge
0
Complexity
952

Suppliers

Loading…

Open inquiries

Loading…

Related reactions

0 records
New reaction record

No reaction records under the current filter.

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes