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866132-82-3 | (5E)-5-[(furan-2-yl)methylidene]-2-[2-(2-hydroxyethyl)piperidin-1-yl]-4,5-dihydro-1,3-thiazol-4-one
CAS No: 866132-82-3 Catalog No: AG00IVOX MDL No:MFCD04126001
Product Description
Catalog Number:
AG00IVOX
Chemical Name:
(5E)-5-[(furan-2-yl)methylidene]-2-[2-(2-hydroxyethyl)piperidin-1-yl]-4,5-dihydro-1,3-thiazol-4-one
CAS Number:
866132-82-3
Molecular Formula:
C15H18N2O3S
Molecular Weight:
306.3800
MDL Number:
MFCD04126001
IUPAC Name:
5-(furan-2-ylmethylidene)-2-[2-(2-hydroxyethyl)piperidin-1-yl]-1,3-thiazol-4-one
InChI:
InChI=1S/C15H18N2O3S/c18-8-6-11-4-1-2-7-17(11)15-16-14(19)13(21-15)10-12-5-3-9-20-12/h3,5,9-11,18H,1-2,4,6-8H2
InChI Key:
VYPRXQIBTVMKRP-UHFFFAOYSA-N
SMILES:
OCCC1CCCCN1C1=NC(=O)/C(=C\c2ccco2)/S1
Properties
Complexity:
464
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.104g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
306.38g/mol
Monoisotopic Mass:
306.104g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
91.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
2.1
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