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

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

Formula: C17H18N6OS2

SMILES: CCC(SC1=NC(N)=CC(N)=N1)C(=O)NC1=NC(=CS1)C1=CC=CC=C1

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

InChI: InChI=1/C17H18N6OS2/c1-2-12(26-17-21-13(18)8-14(19)22-17)15(24)23-16-20-11(9-25-16)10-6-4-3-5-7-10/h3-9,12H,2H2,1H3,(H,20,23,24)(H4,18,19,21,22)

Composition: C (52.83%), H (4.69%), N (21.74%), O (4.14%), S (16.59%)

Molar Mass: 386.49

Atom Count: 44

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	1
Exact Mass	386.098351572
Formal Charge	0
FSP3	0.18
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	3
InChIKey	NHDHFZMIBVHTII-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	108.43
Topological Polar Surface Area	119.81
Polarizability	40.78
Ring Count	3
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C17H18N6OS2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00