Name: Name:2-(1-benzofuran-2-yl)-4-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid
Brand: Angene
SKU: AG01EKJI
Rating: 90 (10 reviews)

2-(1-benzofuran-2-yl)-4-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid

CAS No.:

1778623-14-5

Catalog Number:

AG01EKJI

Molecular Formula:

C16H15NO3S

Molecular Weight:

301.3602

Catalog Number:

AG01EKJI

Chemical Name:

2-(1-benzofuran-2-yl)-4-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid

CAS Number:

1778623-14-5

Molecular Formula:

C16H15NO3S

Molecular Weight:

301.3602

MDL Number:

MFCD31615668

IUPAC Name:

2-(1-benzofuran-2-yl)-4-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid

InChI:

InChI=1S/C16H15NO3S/c1-9(2)7-11-14(16(18)19)21-15(17-11)13-8-10-5-3-4-6-12(10)20-13/h3-6,8-9H,7H2,1-2H3,(H,18,19)

InChI Key:

QBOOEKLERQRNDG-UHFFFAOYSA-N

SMILES:

CC(Cc1nc(sc1C(=O)O)c1cc2c(o1)cccc2)C

Complexity:

390

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

301.077g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

301.36g/mol

Monoisotopic Mass:

301.077g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

91.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.5