3-Allyl-4-amino-N-(2-furylmethyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide
Basic information
- CAS
618076-56-5- Standard SMILES
C=CCn1c(N)c(C(=O)NCc2ccco2)sc1=S- InChIKey
HCUWAEMBWDLZKW-UHFFFAOYSA-N- Molecular formula
- C12H13N3O2S2
- Average molar mass
- 295.4 g/mol
- Monoisotopic mass
- 295.04491901
Names & identifiers
- Preferred name
- 3-Allyl-4-amino-N-(2-furylmethyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide
- IUPAC
- 4-amino-N-(furan-2-ylmethyl)-3-prop-2-enyl-2-sulfanylidene-1,3-thiazole-5-carboxamide
- English name
- SALOR-INT L425702-1EA
- Molecular formula
- C12H13N3O2S2
- Molecular weight
- 295.38
Names & synonyms
618076-56-53-allyl-4-amino-N-(2-furylmethyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamideRefChem:496621645-386-73-Allyl-4-amino-N-(furan-2-ylmethyl)-2-thioxo-2,3-dihydrothiazole-5-carboxamide4-amino-N-(furan-2-ylmethyl)-3-prop-2-enyl-2-sulfanylidene-1,3-thiazole-5-carboxamideMLS000088322CHEMBL1424364HMS2433D12CCG-24202STK877263AKOS000349073
Show more names
SALOR-INT L425702-1EA
SMR000072570ST50090720Z577838774-amino-N-(furan-2-ylmethyl)-3-(prop-2-en-1-yl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide
Database identifiers
- CAS
618076-56-5- PubChem CID
- 752647
- ChEMBL
CHEMBL1424364- EC Number
- 645-386-7
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 437
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Suppliers
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Related reactions
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Compound notes
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