5-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]-4-methyl-1,1-dioxo-1,2-thiazol-3-imine

C17H14F2N2O2S — CID 135437071

IUPAC5-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]-4-methyl-1,1-dioxo-1,2-thiazol-3-imine
SMILESCC1=C(c2ccc(F)cc2)S(=O)(=O)N/C1=N\Cc1ccccc1F
InChIInChI=1S/C17H14F2N2O2S/c1-11-16(12-6-8-14(18)9-7-12)24(22,23)21-17(11)20-10-13-4-2-3-5-15(13)19/h2-9H,10H2,1H3,(H,20,21)
InChIKeyMSMUISRDLWUBNJ-UHFFFAOYSA-N
MW348.37 g/mol
LogP3.23
Rot. Bonds3

About 5-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]-4-methyl-1,1-dioxo-1,2-thiazol-3-imine

5-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]-4-methyl-1,1-dioxo-1,2-thiazol-3-imine (PubChem CID 135437071) has the molecular formula C17H14F2N2O2S and a molecular weight of 348.37 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]-4-methyl-1,1-dioxo-1,2-thiazol-3-imine.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]-4-methyl-1,1-dioxo-1,2-thiazol-3-imine
PubChem CID135437071
Molecular FormulaC17H14F2N2O2S
Molecular Weight348.37 g/mol
Exact Mass348.07
IUPAC Name5-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]-4-methyl-1,1-dioxo-1,2-thiazol-3-imine
SMILESCC1=C(c2ccc(F)cc2)S(=O)(=O)N/C1=N\Cc1ccccc1F
InChIInChI=1S/C17H14F2N2O2S/c1-11-16(12-6-8-14(18)9-7-12)24(22,23)21-17(11)20-10-13-4-2-3-5-15(13)19/h2-9H,10H2,1H3,(H,20,21)
InChIKeyMSMUISRDLWUBNJ-UHFFFAOYSA-N
XLogP3.23
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]-4-methyl-1,1-dioxo-1,2-thiazol-3-imine?
The IUPAC name of 5-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]-4-methyl-1,1-dioxo-1,2-thiazol-3-imine (CID 135437071) is 5-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]-4-methyl-1,1-dioxo-1,2-thiazol-3-imine.
What is the SMILES notation for 5-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]-4-methyl-1,1-dioxo-1,2-thiazol-3-imine?
The canonical SMILES for 5-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]-4-methyl-1,1-dioxo-1,2-thiazol-3-imine is CC1=C(c2ccc(F)cc2)S(=O)(=O)N/C1=N\Cc1ccccc1F.
What is the InChIKey of 5-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]-4-methyl-1,1-dioxo-1,2-thiazol-3-imine?
The InChIKey is MSMUISRDLWUBNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N2O2S/c1-11-16(12-6-8-14(18)9-7-12)24(22,23)21-17(11)20-10-13-4-2-3-5-15(13)19/h2-9H,10H2,1H3,(H,20,21).
What are the key properties of 5-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]-4-methyl-1,1-dioxo-1,2-thiazol-3-imine?
5-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]-4-methyl-1,1-dioxo-1,2-thiazol-3-imine has a molecular weight of 348.37 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]-4-methyl-1,1-dioxo-1,2-thiazol-3-imine is sourced from PubChem (CID 135437071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).