5-((5-Methyl-1,3,4-thiadiazol-2-yl)amino)-5-oxopentanoic acid
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Basic information
- CAS
247225-30-5- Standard SMILES
Cc1nnc(NC(=O)CCCC(=O)O)s1- InChIKey
XNNFCSWDIJEHEE-UHFFFAOYSA-N- Molecular formula
- C8H11N3O3S
- Average molar mass
- 229.26 g/mol
- Monoisotopic mass
- 229.05211239
Names & identifiers
- Preferred name
- 5-((5-Methyl-1,3,4-thiadiazol-2-yl)amino)-5-oxopentanoic acid
- IUPAC
- 5-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-5-oxopentanoic acid
- English name
- 2-(4-CARBOXYBUTYRYL)AMINO-5-METHYL-1,3,4-THIADIAZOLE
- Molecular formula
- C8H11N3O3S
- Molecular weight
- 229.26
Names & synonyms
247225-30-55-((5-Methyl-1,3,4-thiadiazol-2-yl)amino)-5-oxopentanoic acid5-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-5-oxopentanoic acidRefChem:2991524-(5-Methyl-[1,3,4]thiadiazol-2-ylcarbamoyl)-butyric acid2-(4-CARBOXYBUTYRYL)AMINO-5-METHYL-1,3,4-THIADIAZOLE4-[N-(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]butanoic acidOprea1_489492Oprea1_762352XNNFCSWDIJEHEE-UHFFFAOYSA-NDTXSID001180516SBB027457
Show more names
Pentanoic acid, 5-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-5-oxo-
AKOS000300985CCG-116240CS-0282841ST50004316Z573961955-((5-Methyl-1,3,4-thiadiazol-2-yl)amino)-5-oxopentanoicacid
Database identifiers
- CAS
247225-30-5- PubChem CID
- 794484
- DTXSID
DTXSID001180516
Properties
Computed structural propertiesFilling in
- XLogP
- 0.1
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 249
Physicochemical properties
- Density
- 1.443 · 1.443±0.06 g/cm3(Predicted)
- pka
- 4.6 · 4.60±0.10(Predicted)
- Hazard Codes
- Xi
- 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_code
- Xi
- hazard_class
- IRRITANT
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
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Compound notes
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