3-Allyl-4-amino-N-(3-pyridinylmethyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide
Basic information
- CAS
618076-58-7- Standard SMILES
C=CCn1c(N)c(C(=O)NCc2cccnc2)sc1=S- InChIKey
ULWXRHPFQDSCDG-UHFFFAOYSA-N- Molecular formula
- C13H14N4OS2
- Average molar mass
- 306.4 g/mol
- Monoisotopic mass
- 306.06090343
Names & identifiers
- Preferred name
- 3-Allyl-4-amino-N-(3-pyridinylmethyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide
- IUPAC
- 4-amino-3-prop-2-enyl-N-(pyridin-3-ylmethyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide
Names & synonyms
3-allyl-4-amino-N-(3-pyridinylmethyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide618076-58-7RefChem:496622645-380-4MLS000088185CHEMBL1376964HMS2424I03STK814097AKOS001686213CCG-1158114-amino-3-prop-2-enyl-N-(pyridin-3-ylmethyl)-2-sulfanylidene-1,3-thiazole-5-carboxamideSMR000072422
Show more names
Z577838784-amino-3-(prop-2-en-1-yl)-N-(pyridin-3-ylmethyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide
Database identifiers
- CAS
618076-58-7- PubChem CID
- 752648
- ChEMBL
CHEMBL1376964- EC Number
- 645-380-4
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 450
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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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