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

Ethyl 2-[(3-bromo-4-hydroxyphenyl)methylidene]-7-methyl-3-oxo-5-(thiophen-2-yl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

HCID 2889261
New noteNew reactionRequest quotesPrint preview
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
6173-07-5
Standard SMILES
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(O)c(Br)c3)c(=O)n2C1c1cccs1
InChIKey
DMUGQLZLSMSQHM-UHFFFAOYSA-N
Molecular formula
C21H17BrN2O4S2
Average molar mass
505.4 g/mol
Monoisotopic mass
503.98131

Names & identifiers

Preferred name
Ethyl 2-[(3-bromo-4-hydroxyphenyl)methylidene]-7-methyl-3-oxo-5-(thiophen-2-yl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
IUPAC
ethyl 2-[(3-bromo-4-hydroxyphenyl)methylidene]-7-methyl-3-oxo-5-thiophen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Names & synonyms

Oprea1_301169DTXSID50387419Ethyl 2-[(3-bromo-4-hydroxyphenyl)methylidene]-7-methyl-3-oxo-5-(thiophen-2-yl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Database identifiers

CAS
6173-07-5
PubChem CID
2889261
DTXSID
DTXSID50387419

Properties

Computed structural properties

XLogP
4.5
Topological polar surface area
133 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
5
Heavy atoms
30
Formal charge
0
Complexity
828

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