2-[1-(tert-butoxycarbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxylic acid

2-[1-(tert-butoxycarbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxylic acid

CAS: 365413-00-9

Formula: C14H20N2O4S

SMILES: CC(C)(C)OC(=O)N1CCC(CC1)C1=NC(=CS1)C(O)=O

IUPAC: 2-{1-[(tert-butoxy)carbonyl]piperidin-4-yl}-1,3-thiazole-4-carboxylic acid

InChI: InChI=1S/C14H20N2O4S/c1-14(2,3)20-13(19)16-6-4-9(5-7-16)11-15-10(8-21-11)12(17)18/h8-9H,4-7H2,1-3H3,(H,17,18)

Composition: C (53.83%), H (6.45%), N (8.97%), O (20.49%), S (10.26%)

Molar Mass: 312.38

Atom Count: 41

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	312.114378306
Formal Charge	0
FSP3	0.64
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	KIRRXZPLONWSFO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	78.02
Topological Polar Surface Area	79.73
Polarizability	30.17
Ring Count	2
Rotatable Bond Count	4

Suppliers

Key Organics Ltd

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<2 Days	365413-00-9		$51.35-$225.06$51.35$63.37$86.31$143.12$225.06