5-(4-fluorophenyl)-N-(furan-2-ylmethyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-imine

C15H13FN2O3S — CID 135735953

IUPAC5-(4-fluorophenyl)-N-(furan-2-ylmethyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-imine
SMILESCC1=C(c2ccc(F)cc2)S(=O)(=O)N/C1=N\Cc1ccco1
InChIInChI=1S/C15H13FN2O3S/c1-10-14(11-4-6-12(16)7-5-11)22(19,20)18-15(10)17-9-13-3-2-8-21-13/h2-8H,9H2,1H3,(H,17,18)
InChIKeyGHGQAEAARWYAQM-UHFFFAOYSA-N
MW320.35 g/mol
LogP2.68
Rot. Bonds3

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

5-(4-fluorophenyl)-N-(furan-2-ylmethyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-imine (PubChem CID 135735953) has the molecular formula C15H13FN2O3S and a molecular weight of 320.35 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-(furan-2-ylmethyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-imine.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-(furan-2-ylmethyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-imine
PubChem CID135735953
Molecular FormulaC15H13FN2O3S
Molecular Weight320.35 g/mol
Exact Mass320.06
IUPAC Name5-(4-fluorophenyl)-N-(furan-2-ylmethyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-imine
SMILESCC1=C(c2ccc(F)cc2)S(=O)(=O)N/C1=N\Cc1ccco1
InChIInChI=1S/C15H13FN2O3S/c1-10-14(11-4-6-12(16)7-5-11)22(19,20)18-15(10)17-9-13-3-2-8-21-13/h2-8H,9H2,1H3,(H,17,18)
InChIKeyGHGQAEAARWYAQM-UHFFFAOYSA-N
XLogP2.68
TPSA71.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(furan-2-ylmethyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-imine?
The IUPAC name of 5-(4-fluorophenyl)-N-(furan-2-ylmethyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-imine (CID 135735953) is 5-(4-fluorophenyl)-N-(furan-2-ylmethyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-imine.
What is the SMILES notation for 5-(4-fluorophenyl)-N-(furan-2-ylmethyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-imine?
The canonical SMILES for 5-(4-fluorophenyl)-N-(furan-2-ylmethyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-imine is CC1=C(c2ccc(F)cc2)S(=O)(=O)N/C1=N\Cc1ccco1.
What is the InChIKey of 5-(4-fluorophenyl)-N-(furan-2-ylmethyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-imine?
The InChIKey is GHGQAEAARWYAQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O3S/c1-10-14(11-4-6-12(16)7-5-11)22(19,20)18-15(10)17-9-13-3-2-8-21-13/h2-8H,9H2,1H3,(H,17,18).
What are the key properties of 5-(4-fluorophenyl)-N-(furan-2-ylmethyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-imine?
5-(4-fluorophenyl)-N-(furan-2-ylmethyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-imine has a molecular weight of 320.35 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-(furan-2-ylmethyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-imine is sourced from PubChem (CID 135735953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).