HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.8.0
  1. Home
  2. /Compound

propan-2-yl 5-(4-methoxyphenyl)-7-methyl-3-oxo-2-[(5-piperidin-1-ylfuran-2-yl)methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

HCID 178697652
New noteNew reactionRequest quotes
Print preview

Completing data — refresh the page later to see the latest

Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
340320-43-6
Standard SMILES
COc1ccc(C2C(C(=O)OC(C)C)=C(C)N=c3sc(=Cc4ccc(N5CCCCC5)o4)c(=O)n32)cc1
InChIKey
XEPXJGDQCVLTKQ-UHFFFAOYSA-N
Molecular formula
C28H31N3O5S
Average molar mass
521.6 g/mol
Monoisotopic mass
521.19844227

Names & identifiers

Preferred name
propan-2-yl 5-(4-methoxyphenyl)-7-methyl-3-oxo-2-[(5-piperidin-1-ylfuran-2-yl)methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
IUPAC
propan-2-yl 5-(4-methoxyphenyl)-7-methyl-3-oxo-2-[(5-piperidin-1-ylfuran-2-yl)methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
English name
isopropyl 5-(4-methoxyphenyl)-7-methyl-3-oxo-2-{[5-(1-piperidinyl)-2-furyl]methylene}-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Molecular formula
C28H31N3O5S
Molecular weight
521.63

Names & synonyms

Oprea1_598289isopropyl 5-(4-methoxyphenyl)-7-methyl-3-oxo-2-{[5-(1-piperidinyl)-2-furyl]methylene}-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate5H-Thiazolo[3,2-a]pyrimidine-6-carboxylic acid, 2,3-dihydro-5-(4-methoxyphenyl)-7-methyl-3-oxo-2-[[5-(1-piperidinyl)-2-furanyl]methylene]-, 1-methylethyl ester

Database identifiers

CAS
340320-43-6
PubChem CID
3258073

Properties

Computed structural propertiesFilling in

XLogP
5.3
Topological polar surface area
110 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
8
Rotatable bonds
7
Heavy atoms
37
Formal charge
0
Complexity
978

Physicochemical properties

Boiling point
662.4 · 662.4±65.0 °C(Predicted)
Density
1.33 · 1.33±0.1 g/cm3(Predicted)
pka
3.48 · 3.48±0.20(Predicted)

Related reactions

0 records
New reaction record

No reaction records under the current filter.

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes
More actions
New noteNew reactionRequest quotes