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

C18H17FN2O2S — CID 135597516

IUPACN-[(4-fluorophenyl)methyl]-4-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-imine
SMILESCC1=C(c2ccc(C)cc2)S(=O)(=O)N/C1=N\Cc1ccc(F)cc1
InChIInChI=1S/C18H17FN2O2S/c1-12-3-7-15(8-4-12)17-13(2)18(21-24(17,22)23)20-11-14-5-9-16(19)10-6-14/h3-10H,11H2,1-2H3,(H,20,21)
InChIKeyASLKALNQNNDXBZ-UHFFFAOYSA-N
MW344.41 g/mol
LogP3.40
Rot. Bonds3

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

N-[(4-fluorophenyl)methyl]-4-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-imine (PubChem CID 135597516) has the molecular formula C18H17FN2O2S and a molecular weight of 344.41 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-4-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-imine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-4-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-imine
PubChem CID135597516
Molecular FormulaC18H17FN2O2S
Molecular Weight344.41 g/mol
Exact Mass344.10
IUPAC NameN-[(4-fluorophenyl)methyl]-4-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-imine
SMILESCC1=C(c2ccc(C)cc2)S(=O)(=O)N/C1=N\Cc1ccc(F)cc1
InChIInChI=1S/C18H17FN2O2S/c1-12-3-7-15(8-4-12)17-13(2)18(21-24(17,22)23)20-11-14-5-9-16(19)10-6-14/h3-10H,11H2,1-2H3,(H,20,21)
InChIKeyASLKALNQNNDXBZ-UHFFFAOYSA-N
XLogP3.40
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 53.40
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 N-[(4-fluorophenyl)methyl]-4-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-imine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-4-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-imine (CID 135597516) is N-[(4-fluorophenyl)methyl]-4-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-imine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-4-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-imine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-4-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-imine is CC1=C(c2ccc(C)cc2)S(=O)(=O)N/C1=N\Cc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-4-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-imine?
The InChIKey is ASLKALNQNNDXBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O2S/c1-12-3-7-15(8-4-12)17-13(2)18(21-24(17,22)23)20-11-14-5-9-16(19)10-6-14/h3-10H,11H2,1-2H3,(H,20,21).
What are the key properties of N-[(4-fluorophenyl)methyl]-4-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-imine?
N-[(4-fluorophenyl)methyl]-4-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-imine has a molecular weight of 344.41 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-4-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-imine is sourced from PubChem (CID 135597516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).