4-(2-amino-1,3-thiazol-4-yl)-4-(ethoxycarbonyl)hexanoic acid

4-(2-amino-1,3-thiazol-4-yl)-4-(ethoxycarbonyl)hexanoic acid

Formula: C12H18N2O4S

SMILES: CCOC(=O)C(CC)(CCC(O)=O)C1=CSC(N)=N1

IUPAC: 4-(2-amino-1,3-thiazol-4-yl)-4-(ethoxycarbonyl)hexanoic acid

InChI: InChI=1/C12H18N2O4S/c1-3-12(6-5-9(15)16,10(17)18-4-2)8-7-19-11(13)14-8/h7H,3-6H2,1-2H3,(H2,13,14)(H,15,16)

Composition: C (50.33%), H (6.34%), N (9.78%), O (22.35%), S (11.20%)

Molar Mass: 286.35

Atom Count: 37

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	286.098728242
Formal Charge	0
FSP3	0.58
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	WKUDDFASHAJETJ-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	70.44
Topological Polar Surface Area	102.51
Polarizability	27.23
Ring Count	1
Rotatable Bond Count	8

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C12H18N2O4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00