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866149-76-0 | (5E)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-5-{[4-(methylsulfanyl)phenyl]methylidene}-4,5-dihydro-1,3-thiazol-4-one
CAS No: 866149-76-0 Catalog No: AG00IZ74 MDL No:MFCD05974971
Product Description
Catalog Number:
AG00IZ74
Chemical Name:
(5E)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-5-{[4-(methylsulfanyl)phenyl]methylidene}-4,5-dihydro-1,3-thiazol-4-one
CAS Number:
866149-76-0
Molecular Formula:
C17H21N3O2S2
Molecular Weight:
363.4975
MDL Number:
MFCD05974971
IUPAC Name:
2-[4-(2-hydroxyethyl)piperazin-1-yl]-5-[(4-methylsulfanylphenyl)methylidene]-1,3-thiazol-4-one
InChI:
InChI=1S/C17H21N3O2S2/c1-23-14-4-2-13(3-5-14)12-15-16(22)18-17(24-15)20-8-6-19(7-9-20)10-11-21/h2-5,12,21H,6-11H2,1H3
InChI Key:
MCSOKIBIUPVQND-UHFFFAOYSA-N
SMILES:
OCCN1CCN(CC1)C1=NC(=O)/C(=C\c2ccc(cc2)SC)/S1
Properties
Complexity:
508
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
363.108g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
363.494g/mol
Monoisotopic Mass:
363.108g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.1
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