2-[(4,6-diaminopyrimidin-2-yl)sulfanyl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]butanamide

2-[(4,6-diaminopyrimidin-2-yl)sulfanyl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]butanamide

Formula: C22H22N6OS2

SMILES: CCC(SC1=NC(N)=CC(N)=N1)C(=O)NC1=CC=C(C=C1)C1=NC2=CC=C(C)C=C2S1

IUPAC: 2-[(4,6-diaminopyrimidin-2-yl)sulfanyl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]butanamide

InChI: InChI=1/C22H22N6OS2/c1-3-16(31-22-27-18(23)11-19(24)28-22)20(29)25-14-7-5-13(6-8-14)21-26-15-9-4-12(2)10-17(15)30-21/h4-11,16H,3H2,1-2H3,(H,25,29)(H4,23,24,27,28)

Composition: C (58.64%), H (4.92%), N (18.65%), O (3.55%), S (14.23%)

Molar Mass: 450.58

Atom Count: 53

Heavy Atom Count: 31

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	1
Exact Mass	450.1296517
Formal Charge	0
FSP3	0.18
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	3
InChIKey	DUJJKNIFMWGWQE-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	140.2
Topological Polar Surface Area	119.81
Polarizability	49.37
Ring Count	4
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C22H22N6OS2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00