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860344-52-1 | Benzoic acid, 4-[2-(1-piperidinyl)-4-thiazolyl]-
CAS No: 860344-52-1 Catalog No: AG004V1I MDL No:
Product Description
Catalog Number:
AG004V1I
Chemical Name:
Benzoic acid, 4-[2-(1-piperidinyl)-4-thiazolyl]-
CAS Number:
860344-52-1
Molecular Formula:
C15H16N2O2S
Molecular Weight:
288.3647
IUPAC Name:
4-(2-piperidin-1-yl-1,3-thiazol-4-yl)benzoic acid
InChI:
InChI=1S/C15H16N2O2S/c18-14(19)12-6-4-11(5-7-12)13-10-20-15(16-13)17-8-2-1-3-9-17/h4-7,10H,1-3,8-9H2,(H,18,19)
InChI Key:
MDYHBLVQVAEYCU-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)c1csc(n1)N1CCCCC1
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.093g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
288.365g/mol
Monoisotopic Mass:
288.093g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
81.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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