2-(ethanesulfonyl)-4-(4-methylbenzenesulfonyl)-5-(pyrrolidin-1-yl)-1,3-thiazole

2-(ethanesulfonyl)-4-(4-methylbenzenesulfonyl)-5-(pyrrolidin-1-yl)-1,3-thiazole

Formula: C16H20N2O4S3

SMILES: CCS(=O)(=O)C1=NC(=C(S1)N1CCCC1)S(=O)(=O)C1=CC=C(C)C=C1

IUPAC: 2-(ethanesulfonyl)-4-(4-methylbenzenesulfonyl)-5-(pyrrolidin-1-yl)-1,3-thiazole

InChI: InChI=1S/C16H20N2O4S3/c1-3-24(19,20)16-17-14(15(23-16)18-10-4-5-11-18)25(21,22)13-8-6-12(2)7-9-13/h6-9H,3-5,10-11H2,1-2H3

Composition: C (47.98%), H (5.03%), N (6.99%), O (15.98%), S (24.01%)

Molar Mass: 400.53

Atom Count: 45

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	400.058520654
Formal Charge	0
FSP3	0.44
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
InChIKey	RLWYLRRKAKCREH-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	99.43
Topological Polar Surface Area	84.41
Polarizability	39.66
Ring Count	3
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C16H20N2O4S3		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00