Home Carboxys 5-Thiazolecarboxylicacid,2-amino-4-(1-methylethyl)-,methylester(9CI)

5-Thiazolecarboxylicacid,2-amino-4-(1-methylethyl)-,methylester(9CI)

CAS No.:
649737-05-3
Catalog Number:
AG00F9MB
Molecular Formula:
C8H12N2O2S
Molecular Weight:
200.2581
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Product Description
Catalog Number:
AG00F9MB
Chemical Name:
5-Thiazolecarboxylicacid,2-amino-4-(1-methylethyl)-,methylester(9CI)
CAS Number:
649737-05-3
Molecular Formula:
C8H12N2O2S
Molecular Weight:
200.2581
MDL Number:
MFCD09952353
IUPAC Name:
methyl 2-amino-4-propan-2-yl-1,3-thiazole-5-carboxylate
InChI:
InChI=1S/C8H12N2O2S/c1-4(2)5-6(7(11)12-3)13-8(9)10-5/h4H,1-3H3,(H2,9,10)
InChI Key:
OHIQCQOTNVUDKX-UHFFFAOYSA-N
SMILES:
COC(=O)c1sc(nc1C(C)C)N
Properties
Complexity:
199  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.062g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
200.256g/mol
Monoisotopic Mass:
200.062g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
93.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties