Name: Name:2-((5-[(4-Ethylphenyl)amino]-1,3,4-thiadiazol-2-yl)sulfanyl)acetic acid
Brand: Angene
SKU: AG00IA74
Rating: 90 (10 reviews)

2-((5-[(4-Ethylphenyl)amino]-1,3,4-thiadiazol-2-yl)sulfanyl)acetic acid

CAS No.:

571919-39-6

Catalog Number:

AG00IA74

Molecular Formula:

C12H13N3O2S2

Molecular Weight:

295.3805

Pack Size

Purity

Availability

Location

Price(USD)

Quantity

Product Description

Catalog Number:

AG00IA74

Chemical Name:

2-((5-[(4-Ethylphenyl)amino]-1,3,4-thiadiazol-2-yl)sulfanyl)acetic acid

CAS Number:

571919-39-6

Molecular Formula:

C12H13N3O2S2

Molecular Weight:

295.3805

MDL Number:

MFCD04612074

IUPAC Name:

2-[[5-(4-ethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid

InChI:

InChI=1S/C12H13N3O2S2/c1-2-8-3-5-9(6-4-8)13-11-14-15-12(19-11)18-7-10(16)17/h3-6H,2,7H2,1H3,(H,13,14)(H,16,17)

InChI Key:

XAKCTSXHIQEGFJ-UHFFFAOYSA-N

SMILES:

CCc1ccc(cc1)Nc1nnc(s1)SCC(=O)O

Properties

Complexity:

299

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

295.045g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

295.375g/mol

Monoisotopic Mass:

295.045g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

129A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.5

Literature

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