Name: Name:4-{2-[4-oxo-2-(piperidin-1-yl)-4,5-dihydro-1,3-thiazol-5-yl]acetamido}benzoic acid
Brand: Angene
SKU: AG019JWX
Rating: 90 (10 reviews)

4-{2-[4-oxo-2-(piperidin-1-yl)-4,5-dihydro-1,3-thiazol-5-yl]acetamido}benzoic acid

CAS No.:

785792-36-1

Catalog Number:

AG019JWX

Molecular Formula:

C17H19N3O4S

Molecular Weight:

361.4155

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Product Description

Catalog Number:

AG019JWX

Chemical Name:

4-{2-[4-oxo-2-(piperidin-1-yl)-4,5-dihydro-1,3-thiazol-5-yl]acetamido}benzoic acid

CAS Number:

785792-36-1

Molecular Formula:

C17H19N3O4S

Molecular Weight:

361.4155

MDL Number:

MFCD06350990

IUPAC Name:

4-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzoic acid

InChI:

InChI=1S/C17H19N3O4S/c21-14(18-12-6-4-11(5-7-12)16(23)24)10-13-15(22)19-17(25-13)20-8-2-1-3-9-20/h4-7,13H,1-3,8-10H2,(H,18,21)(H,23,24)

InChI Key:

UVNKGGGHQLLTDY-UHFFFAOYSA-N

SMILES:

O=C(Nc1ccc(cc1)C(=O)O)CC1SC(=NC1=O)N1CCCCC1

Properties

Complexity:

566

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

361.11g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

361.416g/mol

Monoisotopic Mass:

361.11g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

124A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.5

Literature

Title	Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa.	Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501