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

C17H15FN2O2S — CID 135735926

IUPACN-benzyl-5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-imine
SMILESCC1=C(c2ccc(F)cc2)S(=O)(=O)N/C1=N\Cc1ccccc1
InChIInChI=1S/C17H15FN2O2S/c1-12-16(14-7-9-15(18)10-8-14)23(21,22)20-17(12)19-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,19,20)
InChIKeyKFPNYAPHCMFZRN-UHFFFAOYSA-N
MW330.38 g/mol
LogP3.09
Rot. Bonds3

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

N-benzyl-5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-imine (PubChem CID 135735926) has the molecular formula C17H15FN2O2S and a molecular weight of 330.38 g/mol. Its IUPAC name is N-benzyl-5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-imine.

Molecular Properties

Compound NameN-benzyl-5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-imine
PubChem CID135735926
Molecular FormulaC17H15FN2O2S
Molecular Weight330.38 g/mol
Exact Mass330.08
IUPAC NameN-benzyl-5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-imine
SMILESCC1=C(c2ccc(F)cc2)S(=O)(=O)N/C1=N\Cc1ccccc1
InChIInChI=1S/C17H15FN2O2S/c1-12-16(14-7-9-15(18)10-8-14)23(21,22)20-17(12)19-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,19,20)
InChIKeyKFPNYAPHCMFZRN-UHFFFAOYSA-N
XLogP3.09
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Ambcb5850328
CID 9586083
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N-isopropyl-N'-[(4-methylphenyl)sulfonyl]benzenecarboximidamide
CID 2946840
N-(benzenesulfonyl)-N'-cyclohexyl-2-fluorobenzenecarboximidamide
CID 4414226
N'-[(4-fluorophenyl)methyl]-N-(2-methylphenyl)sulfonylbenzenecarboximidamide
CID 2364800
N-benzyl-2-fluoro-N'-(phenylsulfonyl)benzenecarboximidamide
CID 2946972
(Z)-N-Cyclohexyl-4-fluoro-N'-(4-methylbenzenesulfonyl)benzene-1-carboximidamide
CID 4303673
N-(2-fluorobenzyl)-5-(4-fluorophenyl)-4-methylisothiazol-3-amine 1,1-dioxide
CID 135437071
5-(4-isopropylphenyl)-4-methyl-3-[(2-methylbenzyl)amino]-1H-1lambda~6~-isothiazole-1,1-dione
CID 135546903
N-benzyl-4-fluoro-N'-[(4-methylphenyl)sulfonyl]benzenecarboximidamide
CID 2946110
N-cyclohexyl-N'-[(4-fluorophenyl)sulfonyl]benzenecarboximidamide
CID 2946189
{[(Benzylamino)(imino)methyl]amino}(dioxo)phenyl-lambda-sulfane
CID 45106276

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-imine?
The IUPAC name of N-benzyl-5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-imine (CID 135735926) is N-benzyl-5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-imine.
What is the SMILES notation for N-benzyl-5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-imine?
The canonical SMILES for N-benzyl-5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-imine is CC1=C(c2ccc(F)cc2)S(=O)(=O)N/C1=N\Cc1ccccc1.
What is the InChIKey of N-benzyl-5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-imine?
The InChIKey is KFPNYAPHCMFZRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O2S/c1-12-16(14-7-9-15(18)10-8-14)23(21,22)20-17(12)19-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,19,20).
What are the key properties of N-benzyl-5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-imine?
N-benzyl-5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-imine has a molecular weight of 330.38 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-imine is sourced from PubChem (CID 135735926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).