(5Z)-5-{[2-methyl-4-(pyrrolidin-1-yl)phenyl]methylidene}-3-(prop-2-yn-1-yl)-1,3-thiazolidine-2,4-dione

(5Z)-5-{[2-methyl-4-(pyrrolidin-1-yl)phenyl]methylidene}-3-(prop-2-yn-1-yl)-1,3-thiazolidine-2,4-dione

Formula: C18H18N2O2S

SMILES: CC1=CC(=CC=C1C=C1/SC(=O)N(CC#C)C1=O)N1CCCC1

IUPAC: (5Z)-5-{[2-methyl-4-(pyrrolidin-1-yl)phenyl]methylidene}-3-(prop-2-yn-1-yl)-1,3-thiazolidine-2,4-dione

InChI: InChI=1S/C18H18N2O2S/c1-3-8-20-17(21)16(23-18(20)22)12-14-6-7-15(11-13(14)2)19-9-4-5-10-19/h1,6-7,11-12H,4-5,8-10H2,2H3/b16-12-

Composition: C (66.23%), H (5.56%), N (8.58%), O (9.80%), S (9.82%)

Molar Mass: 326.41

Atom Count: 41

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	326.108899002
Formal Charge	0
FSP3	0.33
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	IIJFZNOFJLEARG-VBKFSLOCSA-N
Lipinski's Rule of Five	1
Molar Refractivity	95.71
Topological Polar Surface Area	40.62
Polarizability	35.08
Ring Count	3
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C18H18N2O2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00