5-(pyridin-4-ylmethyl)-1,3-thiazolidine-2,4-dione

5-(pyridin-4-ylmethyl)-1,3-thiazolidine-2,4-dione

CAS: 865658-87-3

Formula: C9H8N2O2S

SMILES: O=C1NC(=O)C(CC2=CC=NC=C2)S1

IUPAC: 5-[(pyridin-4-yl)methyl]-1,3-thiazolidine-2,4-dione

InChI: InChI=1/C9H8N2O2S/c12-8-7(14-9(13)11-8)5-6-1-3-10-4-2-6/h1-4,7H,5H2,(H,11,12,13)

Composition: C (51.91%), H (3.87%), N (13.45%), O (15.37%), S (15.40%)

Molar Mass: 208.24

Atom Count: 22

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	208.03064868
Formal Charge	0
FSP3	0.22
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	MCYIVMBYMWUAHM-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	52.5
Topological Polar Surface Area	59.06
Polarizability	20.5
Ring Count	2
Rotatable Bond Count	2

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