Basic information
- CAS
301226-86-8- Standard SMILES
CCOC(=O)Cc1csc(NC(=O)Nc2ccccc2)n1- InChIKey
QFRSUAYVIOTVCF-UHFFFAOYSA-N- Molecular formula
- C14H15N3O3S
- Average molar mass
- 305.35 g/mol
- Monoisotopic mass
- 305.08341252
Names & identifiers
- Preferred name
- Ethyl 2-{2-[(anilinocarbonyl)amino]-1,3-thiazol-4-yl}acetate
- IUPAC
- ethyl 2-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]acetate
- English name
- ethyl 2-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]acetate
- Molecular formula
- C14H15N3O3S
- Molecular weight
- 305.35
Names & synonyms
301226-86-8SMR000091585ethyl 2-{2-[(anilinocarbonyl)amino]-1,3-thiazol-4-yl}acetateChemDiv1_001349Oprea1_756527Oprea1_766520MLS000107476MLS000114141CHEMBL1534443HMS590N07HMS2346K09CCG-15848
Show more names
ethyl 2-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]acetateETHYL (2-((ANILINOCARBONYL)AMINO)-1,3-THIAZOL-4-YL)ACETATE4-Thiazoleacetic acid, 2-[[(phenylamino)carbonyl]amino]-, ethyl ester
STK998877AKOS000536111ST031727AB00090828-01ethyl 2-(2-(3-phenylureido)thiazol-4-yl)acetateSR-01000410791SR-01000410791-1ethyl [2-(phenylcarbamamido)-1,3-thiazol-4-yl]acetate
Database identifiers
- CAS
301226-86-8- PubChem CID
- 728643
- ChEMBL
CHEMBL1534443- EC Number
- 168-894-6
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 361
Physicochemical properties
- Density
- 1.376 · 1.376±0.06 g/cm3(Predicted)
- pka
- 4.82 · 4.82±0.70(Predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Chemistry & industry
Suppliers3 total
PHARMEKS Ltd.[email protected]
Interbioscreen Ltd.[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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