Name: Name:4-ethyl-2-(4H-1,2,4-triazol-3-yl)-1,3-thiazole-5-carboxylic acid
Brand: Angene
SKU: AG01EKA8
Rating: 90 (10 reviews)

4-ethyl-2-(4H-1,2,4-triazol-3-yl)-1,3-thiazole-5-carboxylic acid

CAS No.:

1499649-10-3

Catalog Number:

AG01EKA8

Molecular Formula:

C8H8N4O2S

Molecular Weight:

224.2397

Catalog Number:

AG01EKA8

Chemical Name:

4-ethyl-2-(4H-1,2,4-triazol-3-yl)-1,3-thiazole-5-carboxylic acid

CAS Number:

1499649-10-3

Molecular Formula:

C8H8N4O2S

Molecular Weight:

224.2397

MDL Number:

MFCD31667127

IUPAC Name:

4-ethyl-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole-5-carboxylic acid

InChI:

InChI=1S/C8H8N4O2S/c1-2-4-5(8(13)14)15-7(11-4)6-9-3-10-12-6/h3H,2H2,1H3,(H,13,14)(H,9,10,12)

InChI Key:

UWCIZZVMWXOUHA-UHFFFAOYSA-N

SMILES:

CCc1nc(sc1C(=O)O)c1nnc[nH]1

Complexity:

253

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

224.037g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

224.238g/mol

Monoisotopic Mass:

224.037g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

120A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.4