Home Other Building Blocks 2-[2-(2,5-dimethyl-1H-pyrrol-1-yl)-1,3-thiazol-4-yl]acetic acid

2-[2-(2,5-dimethyl-1H-pyrrol-1-yl)-1,3-thiazol-4-yl]acetic acid

CAS No.:
954564-61-5
Catalog Number:
AG019UHT
Molecular Formula:
C11H12N2O2S
Molecular Weight:
236.2902
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Product Description
Catalog Number:
AG019UHT
Chemical Name:
2-[2-(2,5-dimethyl-1H-pyrrol-1-yl)-1,3-thiazol-4-yl]acetic acid
CAS Number:
954564-61-5
Molecular Formula:
C11H12N2O2S
Molecular Weight:
236.2902
MDL Number:
MFCD09740169
IUPAC Name:
2-[2-(2,5-dimethylpyrrol-1-yl)-1,3-thiazol-4-yl]acetic acid
InChI:
InChI=1S/C11H12N2O2S/c1-7-3-4-8(2)13(7)11-12-9(6-16-11)5-10(14)15/h3-4,6H,5H2,1-2H3,(H,14,15)
InChI Key:
NKTLWAFEJJIOJB-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1csc(n1)n1c(C)ccc1C
Properties
Complexity:
265  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.062g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
236.289g/mol
Monoisotopic Mass:
236.062g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
83.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties