N-(4-fluorophenyl)-2-[(2E)-4-oxo-3-(prop-2-en-1-yl)-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylimino)-1,3-thiazolidin-5-yl]acetamide

N-(4-fluorophenyl)-2-[(2E)-4-oxo-3-(prop-2-en-1-yl)-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylimino)-1,3-thiazolidin-5-yl]acetamide

Formula: C21H21FN4O2S2

SMILES: FC1=CC=C(NC(=O)CC2SC(=NC3=NC4=C(CCCC4)S3)N(CC=C)C2=O)C=C1

IUPAC: N-(4-fluorophenyl)-2-[(2E)-4-oxo-3-(prop-2-en-1-yl)-2-[(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)imino]-1,3-thiazolidin-5-yl]acetamide

InChI: InChI=1/C21H21FN4O2S2/c1-2-11-26-19(28)17(12-18(27)23-14-9-7-13(22)8-10-14)30-21(26)25-20-24-15-5-3-4-6-16(15)29-20/h2,7-10,17H,1,3-6,11-12H2,(H,23,27)/b25-21+

Composition: C (56.74%), H (4.76%), F (4.27%), N (12.60%), O (7.20%), S (14.42%)

Molar Mass: 444.54

Atom Count: 51

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	444.108996443
Formal Charge	0
FSP3	0.33
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	DTEZYAOPTZAYEY-NJNXFGOHNA-N
Lipinski's Rule of Five
Molar Refractivity	119.05
Topological Polar Surface Area	74.66
Polarizability	43.9
Ring Count	4
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H21FN4O2S2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00