Home Carboxys methyl 2-(pyrrolidin-3-yl)-1,3-thiazole-5-carboxylate hydrochloride

methyl 2-(pyrrolidin-3-yl)-1,3-thiazole-5-carboxylate hydrochloride

CAS No.:
2137717-09-8
Catalog Number:
AG01EHZN
Molecular Formula:
C9H13ClN2O2S
Molecular Weight:
248.7297
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Product Description
Catalog Number:
AG01EHZN
Chemical Name:
methyl 2-(pyrrolidin-3-yl)-1,3-thiazole-5-carboxylate hydrochloride
CAS Number:
2137717-09-8
Molecular Formula:
C9H13ClN2O2S
Molecular Weight:
248.7297
MDL Number:
MFCD31421776
IUPAC Name:
methyl 2-pyrrolidin-3-yl-1,3-thiazole-5-carboxylate;hydrochloride
InChI:
InChI=1S/C9H12N2O2S.ClH/c1-13-9(12)7-5-11-8(14-7)6-2-3-10-4-6;/h5-6,10H,2-4H2,1H3;1H
InChI Key:
WMWPDIWHMAMGJW-UHFFFAOYSA-N
SMILES:
COC(=O)c1cnc(s1)C1CNCC1.Cl
Properties
Complexity:
225  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.039g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
248.725g/mol
Monoisotopic Mass:
248.039g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
79.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties