Name: Name:1-(1,3-benzothiazol-2-ylmethyl)cyclopentane-1-carboxylic acid
Brand: Angene
SKU: AG00IDKX
Rating: 90 (10 reviews)

1-(1,3-benzothiazol-2-ylmethyl)cyclopentane-1-carboxylic acid

CAS No.:

852033-48-8

Catalog Number:

AG00IDKX

Molecular Formula:

C14H15NO2S

Molecular Weight:

261.3394

Pack Size

Purity

Availability

Location

Price(USD)

Quantity

Product Description

Catalog Number:

AG00IDKX

Chemical Name:

1-(1,3-benzothiazol-2-ylmethyl)cyclopentane-1-carboxylic acid

CAS Number:

852033-48-8

Molecular Formula:

C14H15NO2S

Molecular Weight:

261.3394

MDL Number:

MFCD06655314

IUPAC Name:

1-(1,3-benzothiazol-2-ylmethyl)cyclopentane-1-carboxylic acid

InChI:

InChI=1S/C14H15NO2S/c16-13(17)14(7-3-4-8-14)9-12-15-10-5-1-2-6-11(10)18-12/h1-2,5-6H,3-4,7-9H2,(H,16,17)

InChI Key:

MXXBBESUIKQPCY-UHFFFAOYSA-N

SMILES:

OC(=O)C1(CCCC1)Cc1nc2c(s1)cccc2

Properties

Complexity:

328

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

261.082g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

261.339g/mol

Monoisotopic Mass:

261.082g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

78.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.6

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101