N-(1,3-thiazol-2-yl)-2H-1,3-benzodioxole-5-carboxamide

N-(1,3-thiazol-2-yl)-2H-1,3-benzodioxole-5-carboxamide

Formula: C11H8N2O3S

SMILES: O=C(NC1=NC=CS1)C1=CC=C2OCOC2=C1

IUPAC: N-(1,3-thiazol-2-yl)-2H-1,3-benzodioxole-5-carboxamide

InChI: InChI=1S/C11H8N2O3S/c14-10(13-11-12-3-4-17-11)7-1-2-8-9(5-7)16-6-15-8/h1-5H,6H2,(H,12,13,14)

Composition: C (53.22%), H (3.25%), N (11.28%), O (19.33%), S (12.91%)

Molar Mass: 248.26

Atom Count: 25

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	248.0255633
Formal Charge	0
FSP3	0.09
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	VYIAGACEPAYPHN-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	62.04
Topological Polar Surface Area	60.45
Polarizability	23.28
Ring Count	3
Rotatable Bond Count	2

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C11H8N2O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00