ethyl 2-[2-(3,3-dimethylbutanamido)-1,3-thiazol-4-yl]acetate

ethyl 2-[2-(3,3-dimethylbutanamido)-1,3-thiazol-4-yl]acetate

Formula: C13H20N2O3S

SMILES: CCOC(=O)CC1=CSC(NC(=O)CC(C)(C)C)=N1

IUPAC: ethyl 2-[2-(3,3-dimethylbutanamido)-1,3-thiazol-4-yl]acetate

InChI: InChI=1S/C13H20N2O3S/c1-5-18-11(17)6-9-8-19-12(14-9)15-10(16)7-13(2,3)4/h8H,5-7H2,1-4H3,(H,14,15,16)

Composition: C (54.91%), H (7.09%), N (9.85%), O (16.88%), S (11.27%)

Molar Mass: 284.37

Atom Count: 39

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	284.119463686
Formal Charge	0
FSP3	0.62
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	WOXPIAWNKMUGCB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	74.31
Topological Polar Surface Area	68.29
Polarizability	28.55
Ring Count	1
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C13H20N2O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00