5-[2,3-bis(ethenyl)-6-[(E)-prop-1-enyl]thiopyran-4-ylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione;ethane

C20H24N2O3S — CID 167465071

IUPAC5-[2,3-bis(ethenyl)-6-[(E)-prop-1-enyl]thiopyran-4-ylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione;ethane
SMILESC=CC1=C(C=C)C(=C2C(=O)N(C)C(=O)N(C)C2=O)C=C(/C=C/C)S1.CC
InChIInChI=1S/C18H18N2O3S.C2H6/c1-6-9-11-10-13(12(7-2)14(8-3)24-11)15-16(21)19(4)18(23)20(5)17(15)22;1-2/h6-10H,2-3H2,1,4-5H3;1-2H3/b9-6+;
InChIKeyOXKFFIMADNJZQP-MLBSPLJJSA-N
MW372.49 g/mol
LogP4.19
Rot. Bonds3

About 5-[2,3-bis(ethenyl)-6-[(E)-prop-1-enyl]thiopyran-4-ylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione;ethane

5-[2,3-bis(ethenyl)-6-[(E)-prop-1-enyl]thiopyran-4-ylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione;ethane (PubChem CID 167465071) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is 5-[2,3-bis(ethenyl)-6-[(E)-prop-1-enyl]thiopyran-4-ylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione;ethane.

Molecular Properties

Compound Name5-[2,3-bis(ethenyl)-6-[(E)-prop-1-enyl]thiopyran-4-ylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione;ethane
PubChem CID167465071
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC Name5-[2,3-bis(ethenyl)-6-[(E)-prop-1-enyl]thiopyran-4-ylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione;ethane
SMILESC=CC1=C(C=C)C(=C2C(=O)N(C)C(=O)N(C)C2=O)C=C(/C=C/C)S1.CC
InChIInChI=1S/C18H18N2O3S.C2H6/c1-6-9-11-10-13(12(7-2)14(8-3)24-11)15-16(21)19(4)18(23)20(5)17(15)22;1-2/h6-10H,2-3H2,1,4-5H3;1-2H3/b9-6+;
InChIKeyOXKFFIMADNJZQP-MLBSPLJJSA-N
XLogP4.19
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

5-ethenyl-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 59723669
5-(2-ethenyl-1-ethylquinolin-4-ylidene)-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 167465148
3-ethenyl-4-methylidene-2-[(Z)-prop-1-enyl]thiopyran
CID 143340610
5-ethylidene-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 20693559
4-amino-3-ethenyl-1-methyl-5-methylidenepyrrol-2-one
CID 146758460
3,4-bis(ethenyl)-1-methyl-5-methylidenepyrrol-2-one
CID 143303962
8-amino-5-ethenyl-2-methyl-4-[(Z)-prop-1-enyl]-1H-2-benzazepin-3-one
CID 164598410
ethane;1,2,4-tris(ethenyl)-3-[(Z)-prop-1-enyl]cyclopenta-1,3-diene
CID 142480313
1-methoxy-3,4-bis[(Z)-prop-1-enyl]pyrrole-2,5-dione
CID 137491853
1-[[3,5-difluoro-4-(trifluoromethyl)phenyl]methoxy]-3-ethenyl-4-[(Z)-prop-1-enyl]pyrrole-2,5-dione
CID 144963441
ethane;5-ethenyl-6-[(Z)-prop-1-enyl]-2,3-dihydro-1H-pyrimidin-4-one
CID 143089748
4-ethenyl-5-[(Z)-prop-1-enyl]-1,3-dihydroimidazol-2-one
CID 130247435

Frequently Asked Questions

What is the IUPAC name of 5-[2,3-bis(ethenyl)-6-[(E)-prop-1-enyl]thiopyran-4-ylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione;ethane?
The IUPAC name of 5-[2,3-bis(ethenyl)-6-[(E)-prop-1-enyl]thiopyran-4-ylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione;ethane (CID 167465071) is 5-[2,3-bis(ethenyl)-6-[(E)-prop-1-enyl]thiopyran-4-ylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione;ethane.
What is the SMILES notation for 5-[2,3-bis(ethenyl)-6-[(E)-prop-1-enyl]thiopyran-4-ylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione;ethane?
The canonical SMILES for 5-[2,3-bis(ethenyl)-6-[(E)-prop-1-enyl]thiopyran-4-ylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione;ethane is C=CC1=C(C=C)C(=C2C(=O)N(C)C(=O)N(C)C2=O)C=C(/C=C/C)S1.CC.
What is the InChIKey of 5-[2,3-bis(ethenyl)-6-[(E)-prop-1-enyl]thiopyran-4-ylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione;ethane?
The InChIKey is OXKFFIMADNJZQP-MLBSPLJJSA-N. The full InChI is InChI=1S/C18H18N2O3S.C2H6/c1-6-9-11-10-13(12(7-2)14(8-3)24-11)15-16(21)19(4)18(23)20(5)17(15)22;1-2/h6-10H,2-3H2,1,4-5H3;1-2H3/b9-6+;.
What are the key properties of 5-[2,3-bis(ethenyl)-6-[(E)-prop-1-enyl]thiopyran-4-ylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione;ethane?
5-[2,3-bis(ethenyl)-6-[(E)-prop-1-enyl]thiopyran-4-ylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione;ethane has a molecular weight of 372.49 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,3-bis(ethenyl)-6-[(E)-prop-1-enyl]thiopyran-4-ylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione;ethane is sourced from PubChem (CID 167465071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).