Name: Name:2-(Adamantan-1-yl)-4-methylthiazole-5-carboxylic acid
Brand: Angene
SKU: AG01F910
Rating: 90 (10 reviews)

2-(Adamantan-1-yl)-4-methylthiazole-5-carboxylic acid

CAS No.:

1354407-57-0

Catalog Number:

AG01F910

Molecular Formula:

C15H19NO2S

Molecular Weight:

277.3819

Catalog Number:

AG01F910

Chemical Name:

2-(Adamantan-1-yl)-4-methylthiazole-5-carboxylic acid

CAS Number:

1354407-57-0

Molecular Formula:

C15H19NO2S

Molecular Weight:

277.3819

MDL Number:

MFCD19104766

IUPAC Name:

2-(1-adamantyl)-4-methyl-1,3-thiazole-5-carboxylic acid

InChI:

InChI=1S/C15H19NO2S/c1-8-12(13(17)18)19-14(16-8)15-5-9-2-10(6-15)4-11(3-9)7-15/h9-11H,2-7H2,1H3,(H,17,18)

InChI Key:

GQVDXTCTMCYLQZ-UHFFFAOYSA-N

SMILES:

OC(=O)c1sc(nc1C)C12CC3CC(C2)CC(C1)C3

Complexity:

370

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

277.114g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

277.382g/mol

Monoisotopic Mass:

277.114g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

78.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.1