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

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

CAS No.:
649736-98-1
Catalog Number:
AG00F9M9
Molecular Formula:
C8H12N2O2S
Molecular Weight:
200.2581
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Product Description
Catalog Number:
AG00F9M9
Chemical Name:
4-Thiazolecarboxylicacid,2-amino-5-propyl-,methylester(9CI)
CAS Number:
649736-98-1
Molecular Formula:
C8H12N2O2S
Molecular Weight:
200.2581
MDL Number:
MFCD23135600
IUPAC Name:
methyl 2-amino-5-propyl-1,3-thiazole-4-carboxylate
InChI:
InChI=1S/C8H12N2O2S/c1-3-4-5-6(7(11)12-2)10-8(9)13-5/h3-4H2,1-2H3,(H2,9,10)
InChI Key:
BFFWXWFBGVLSQT-UHFFFAOYSA-N
SMILES:
CCCc1sc(nc1C(=O)OC)N
Properties
Complexity:
189  
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:
4  
Topological Polar Surface Area:
93.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties