Name: Name:1-(1,3-benzothiazol-2-yl)piperidine-3-carboxylic acid
Brand: Angene
SKU: AG00W76T
Rating: 90 (10 reviews)

1-(1,3-benzothiazol-2-yl)piperidine-3-carboxylic acid

CAS No.:

953733-14-7

Catalog Number:

AG00W76T

Molecular Formula:

C13H14N2O2S

Molecular Weight:

262.3275

Catalog Number:

AG00W76T

Chemical Name:

1-(1,3-benzothiazol-2-yl)piperidine-3-carboxylic acid

CAS Number:

953733-14-7

Molecular Formula:

C13H14N2O2S

Molecular Weight:

262.3275

MDL Number:

MFCD09728032

IUPAC Name:

1-(1,3-benzothiazol-2-yl)piperidine-3-carboxylic acid

InChI:

InChI=1S/C13H14N2O2S/c16-12(17)9-4-3-7-15(8-9)13-14-10-5-1-2-6-11(10)18-13/h1-2,5-6,9H,3-4,7-8H2,(H,16,17)

InChI Key:

ZGKSEYKEPXUKJZ-UHFFFAOYSA-N

SMILES:

OC(=O)C1CCCN(C1)c1nc2c(s1)cccc2

Complexity:

326

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

262.078g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

262.327g/mol

Monoisotopic Mass:

262.078g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

81.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.9