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Home > Thiazole > 1289387-39-8
1289387-39-8 | Carbamic acid, N-methyl-N-[1-[1-(2-thiazolyl)ethyl]-3-piperidinyl]-, 1,1-dimethylethyl ester
CAS No: 1289387-39-8 Catalog No: AG000YMI MDL No:
Product Description
Catalog Number:
AG000YMI
Chemical Name:
Carbamic acid, N-methyl-N-[1-[1-(2-thiazolyl)ethyl]-3-piperidinyl]-, 1,1-dimethylethyl ester
CAS Number:
1289387-39-8
Molecular Formula:
C16H27N3O2S
Molecular Weight:
325.4695
IUPAC Name:
tert-butyl N-methyl-N-[1-[1-(1,3-thiazol-2-yl)ethyl]piperidin-3-yl]carbamate
InChI:
InChI=1S/C16H27N3O2S/c1-12(14-17-8-10-22-14)19-9-6-7-13(11-19)18(5)15(20)21-16(2,3)4/h8,10,12-13H,6-7,9,11H2,1-5H3
InChI Key:
SHDSHHFNMQFYBL-UHFFFAOYSA-N
SMILES:
O=C(N(C1CCCN(C1)C(c1nccs1)C)C)OC(C)(C)C
Properties
Complexity:
386
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.182g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
325.471g/mol
Monoisotopic Mass:
325.182g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
73.9A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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