Basic information
- CAS
497060-17-0- Standard SMILES
CC(=O)Nc1ccc(-c2csc(NC=C3C(=O)OC(C)(C)OC3=O)n2)cc1- InChIKey
MFDAHBRNZDUWRV-UHFFFAOYSA-N- Molecular formula
- C18H17N3O5S
- Average molar mass
- 387.4 g/mol
- Monoisotopic mass
- 387.08889182
Names & identifiers
- Preferred name
- N-[4-(2-{[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]amino}-1,3-thiazol-4-yl)phenyl]acetamide
- IUPAC
- N-[4-[2-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]-1,3-thiazol-4-yl]phenyl]acetamide
- English name
- N-(4-(4-(((4,4-Dimethyl-2,6-dioxo-3,5-dioxanylidene)methyl)amino)-3,5-thiazolyl)phenyl)ethanamide
- Molecular formula
- C18H17N3O5S
- Molecular weight
- 387.41
Names & synonyms
497060-17-0N-[4-(2-{[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]amino}-1,3-thiazol-4-yl)phenyl]acetamideN-[4-(2-{[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-yliden)methyl]amino}-1,3-thiazol-4-yl)phenyl]acetamideMFCD01567575MLS000699230CHEMBL3193630DTXSID001115721XUA06017AKOS005109738MS-7836N-(4-(4-(((4,4-DIMETHYL-2,6-DIOXO-3,5-DIOXANYLIDENE)METHYL)AMINO)-3,5-THIAZOLYL)PHENYL)ETHANAMIDEN-[4-[2-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]-1,3-thiazol-4-yl]phenyl]acetamide
Show more names
N-[4-(2-{[(2,2-Dimethyl-4,6-dioxo-1,3-dioxan-5-yliden)methyl]amino}-1,3-thiazol-4-yl)phenyl]acAcetamide, N-[4-[2-[[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]amino]-4-thiazolyl]phenyl]-
SMR000229763AO-990/15068041N-[4-[2-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]thiazol-4-yl]phenyl]acetamideN-[4-[2-[[(2,2-Dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]amino]-4-thiazolyl]phenyl]acetamide
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 621
Physicochemical properties
- Density
- 1.458 · 1.458±0.06 g/cm3(Predicted)
- pka
- 14.57 · 14.57±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers4 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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