200,000+ products from a single source!
sales@angenechem.com
1239233-86-3 | 5-Thiazolecarboxylic acid, 2-[3-(aminocarbonyl)-4-(2-methylpropoxy)phenyl]-4-methyl-
CAS No: 1239233-86-3 Catalog No: AG000L8I MDL No:
Product Description
Catalog Number:
AG000L8I
Chemical Name:
5-Thiazolecarboxylic acid, 2-[3-(aminocarbonyl)-4-(2-methylpropoxy)phenyl]-4-methyl-
CAS Number:
1239233-86-3
Molecular Formula:
C16H18N2O4S
Molecular Weight:
334.3901
IUPAC Name:
2-[3-carbamoyl-4-(2-methylpropoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid
InChI:
InChI=1S/C16H18N2O4S/c1-8(2)7-22-12-5-4-10(6-11(12)14(17)19)15-18-9(3)13(23-15)16(20)21/h4-6,8H,7H2,1-3H3,(H2,17,19)(H,20,21)
InChI Key:
ITMGNZBRUWAGOZ-UHFFFAOYSA-N
SMILES:
CC(COc1ccc(cc1C(=O)N)c1nc(c(s1)C(=O)O)C)C
Properties
Complexity:
446
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.099g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
334.39g/mol
Monoisotopic Mass:
334.099g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
131A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.