(2E)-2-cyano-3-(4-{[(1,3-thiazol-2-yl)carbamoyl]methoxy}phenyl)prop-2-enamide

(2E)-2-cyano-3-(4-{[(1,3-thiazol-2-yl)carbamoyl]methoxy}phenyl)prop-2-enamide

Formula: C15H12N4O3S

SMILES: NC(=O)C(=CC1=CC=C(OCC(=O)NC2=NC=CS2)C=C1)C#N

IUPAC: (2E)-2-cyano-3-(4-{[(1,3-thiazol-2-yl)carbamoyl]methoxy}phenyl)prop-2-enamide

InChI: InChI=1S/C15H12N4O3S/c16-8-11(14(17)21)7-10-1-3-12(4-2-10)22-9-13(20)19-15-18-5-6-23-15/h1-7H,9H2,(H2,17,21)(H,18,19,20)/b11-7+

Composition: C (54.87%), H (3.68%), N (17.06%), O (14.62%), S (9.76%)

Molar Mass: 328.35

Atom Count: 35

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	328.063011436
Formal Charge	0
FSP3	0.07
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	DRPWZFCSXQJRAL-YRNVUSSQSA-N
Lipinski's Rule of Five	1
Molar Refractivity	85.44
Topological Polar Surface Area	118.1
Polarizability	31.53
Ring Count	2
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C15H12N4O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00