(2E)-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-cyano-3-(furan-2-yl)prop-2-enamide

(2E)-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-cyano-3-(furan-2-yl)prop-2-enamide

Formula: C17H10BrN3O2S

SMILES: BrC1=CC=C(C=C1)C1=CSC(NC(=O)C(=CC2=CC=CO2)C#N)=N1

IUPAC: (2E)-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-cyano-3-(furan-2-yl)prop-2-enamide

InChI: InChI=1S/C17H10BrN3O2S/c18-13-5-3-11(4-6-13)15-10-24-17(20-15)21-16(22)12(9-19)8-14-2-1-7-23-14/h1-8,10H,(H,20,21,22)/b12-8+

Composition: C (51.01%), H (2.52%), Br (19.96%), N (10.50%), O (7.99%), S (8.01%)

Molar Mass: 400.25

Atom Count: 34

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	398.967711
Formal Charge	0
FSP3	0
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	QFNLNRRVCCKGOW-XYOKQWHBSA-N
Lipinski's Rule of Five	1
Molar Refractivity	95.85
Topological Polar Surface Area	78.92
Polarizability	36.48
Ring Count	3
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C17H10BrN3O2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00