5-(3-nitrophenyl)-3-phenyl-2-thioxo-2,3,5,6-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-7(4H)-one
Basic information
- CAS
312278-00-5- Standard SMILES
O=C1NC(c2cccc([N+](=O)[O-])c2)Nc2c1sc(=S)n2-c1ccccc1- InChIKey
QDVLEZKBWCTXOP-UHFFFAOYSA-N- Molecular formula
- C17H12N4O3S2
- Average molar mass
- 384.4 g/mol
- Monoisotopic mass
- 384.0350826
Names & identifiers
- Preferred name
- 5-(3-nitrophenyl)-3-phenyl-2-thioxo-2,3,5,6-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-7(4H)-one
- IUPAC
- 5-(3-nitrophenyl)-3-phenyl-2-sulfanylidene-5,6-dihydro-4H-[1,3]thiazolo[4,5-d]pyrimidin-7-one
Names & synonyms
312278-00-52,3,5,6-Tetrahydro-5-(3-nitrophenyl)-3-phenyl-2-thioxothiazolo[4,5-d]pyrimidin-7(4H)-one5-(3-nitrophenyl)-3-phenyl-2-thioxo-2,3,5,6-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-7(4H)-oneCBMicro_028407Oprea1_006341Oprea1_701856DTXSID9011241695-(3-Nitrophenyl)-3-phenyl-2-sulfanylidene-2,3,5,6-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-7(4H)-oneSTK698262AKOS000400863AKOS0220144285-(3-nitrophenyl)-3-phenyl-2-sulfanylidene-5,6-dihydro-4H-[1,3]thiazolo[4,5-d]pyrimidin-7-one
Show more names
BIM-0028175.P001SR-01000519257SR-01000519257-15-(3-nitrophenyl)-3-phenyl-2-thioxo-2,3,5,6-tetrahydrothiazolo[4,5-d]pyrimidin-7(4H)-one
Database identifiers
- CAS
312278-00-5- PubChem CID
- 2861771
- DTXSID
DTXSID901124169
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 148 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 657
Related reactions
0 records
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Compound notes
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