3-Allyl-4-amino-5-((4-methyl-1-piperazinyl)carbonyl)-1,3-thiazole-2(3H)-thione
Basic information
- CAS
618073-01-1- Standard SMILES
C=CCn1c(N)c(C(=O)N2CCN(C)CC2)sc1=S- InChIKey
NJNYCORKGJMPCH-UHFFFAOYSA-N- Molecular formula
- C12H18N4OS2
- Average molar mass
- 298.4 g/mol
- Monoisotopic mass
- 298.09220356
Names & identifiers
- Preferred name
- 3-Allyl-4-amino-5-((4-methyl-1-piperazinyl)carbonyl)-1,3-thiazole-2(3H)-thione
- IUPAC
- (4-amino-3-prop-2-enyl-2-sulfanylidene-1,3-thiazol-5-yl)-(4-methylpiperazin-1-yl)methanone
Names & synonyms
618073-01-13-allyl-4-amino-5-[(4-methyl-1-piperazinyl)carbonyl]-1,3-thiazole-2(3H)-thione3-ALLYL-4-AMINO-5-((4-METHYL-1-PIPERAZINYL)CARBONYL)-1,3-THIAZOLE-2(3H)-THIONERefChem:496618637-823-5SALOR-INT L422703-1EASMR000072568Oprea1_078382MLS000088320CHEMBL1421461HMS2433D16CCG-24201
Show more names
STK813826AKOS001685513(4-amino-3-prop-2-enyl-2-sulfanylidene-1,3-thiazol-5-yl)-(4-methylpiperazin-1-yl)methanoneST082967MLS-0038785.0001AS-871/418984024-amino-3-prop-2-enyl-2-thioxo(1,3-thiazolin-5-yl) 4-methylpiperazinyl ketone[4-amino-3-(prop-2-en-1-yl)-2-thioxo-2,3-dihydro-1,3-thiazol-5-yl](4-methylpiperazin-1-yl)methanone
Database identifiers
- CAS
618073-01-1- PubChem CID
- 752646
- ChEMBL
CHEMBL1421461- EC Number
- 637-823-5
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 441
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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