(2-{[4-(Pentanoylamino)benzoyl]amino}-1,3-thiazol-4-yl)acetic acid
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Basic information
- CAS
931374-29-7- Standard SMILES
CCCCC(=O)Nc1ccc(C(=O)Nc2nc(CC(=O)O)cs2)cc1- InChIKey
YYEDCQXLUBNFQI-UHFFFAOYSA-N- Molecular formula
- C17H19N3O4S
- Average molar mass
- 361.4 g/mol
- Monoisotopic mass
- 361.10962727
Names & identifiers
- Preferred name
- (2-{[4-(Pentanoylamino)benzoyl]amino}-1,3-thiazol-4-yl)acetic acid
- IUPAC
- 2-[2-[[4-(pentanoylamino)benzoyl]amino]-1,3-thiazol-4-yl]acetic acid
- English name
- (2-{[4-(Pentanoylamino)benzoyl]amino}-1,3-thiazol-4-yl)acetic acid
- Molecular formula
- C17H19N3O4S
- Molecular weight
- 361.42
Names & synonyms
931374-29-7MFCD09271328(2-{[4-(pentanoylamino)benzoyl]amino}-1,3-thiazol-4-yl)acetic acid2-(2-(4-Pentanamidobenzamido)thiazol-4-yl)acetic acid(2-([4-(Pentanoylamino)benzoyl]amino)-1,3-thiazol-4-yl)acetic acidZINC13944143[2-(4-pentanamidobenzamido)-1,3-thiazol-4-yl]acetic acid2-[2-(4-pentanamidobenzamido)-1,3-thiazol-4-yl]acetic acid4-thiazoleacetic acid, 2-[[4-[(1-oxopentyl)amino]benzoyl]amino]-(2-[[4-(PENTANOYLAMINO)BENZOYL]AMINO]-1,3-THIAZOL-4-YL)ACETIC ACID2-[2-[[4-(pentanoylamino)benzoyl]amino]-1,3-thiazol-4-yl]acetic acidALBB-016560
Show more names
2-[2-[[4-(valerylamino)benzoyl]amino]thiazol-4-yl]acetic acid2-[2-[[4-(pentanoylamino)benzoyl]amino]thiazol-4-yl]acetic acid2-[2-[[oxo-[4-(1-oxopentylamino)phenyl]methyl]amino]-4-thiazolyl]acetic acid2-[2-[[4-(pentanoylamino)phenyl]carbonylamino]-1,3-thiazol-4-yl]ethanoic acid
STK288423AKOS003394692LS-05174ST094467ZINC000013944143H315912-(2-(4-Pentanamidobenzamido)thiazol-4-yl)aceticacid(2(4PENTANAMIDOBENZAMIDO)13THIAZOL4YL)ACETICACID
Database identifiers
- CAS
931374-29-7- PubChem CID
- 16489179
Properties
Computed structural propertiesFilling in
- XLogP
- 2.2
- Topological polar surface area
- 137 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 481
Physicochemical properties
- Density
- 1.384 · 1.384±0.06 g/cm3(Predicted)
- pka
- 7.32 · 7.32±0.50(Predicted)
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_class
- IRRITANT
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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