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

C18H17FN2O3S — CID 135735938

IUPAC5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-4-methyl-1,1-dioxo-1,2-thiazol-3-imine
SMILESCOc1ccccc1C/N=C1\NS(=O)(=O)C(c2ccc(F)cc2)=C1C
InChIInChI=1S/C18H17FN2O3S/c1-12-17(13-7-9-15(19)10-8-13)25(22,23)21-18(12)20-11-14-5-3-4-6-16(14)24-2/h3-10H,11H2,1-2H3,(H,20,21)
InChIKeyVYHOZKJECURAMG-UHFFFAOYSA-N
MW360.41 g/mol
LogP3.10
Rot. Bonds4

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

5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-4-methyl-1,1-dioxo-1,2-thiazol-3-imine (PubChem CID 135735938) has the molecular formula C18H17FN2O3S and a molecular weight of 360.41 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-4-methyl-1,1-dioxo-1,2-thiazol-3-imine.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-4-methyl-1,1-dioxo-1,2-thiazol-3-imine
PubChem CID135735938
Molecular FormulaC18H17FN2O3S
Molecular Weight360.41 g/mol
Exact Mass360.09
IUPAC Name5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-4-methyl-1,1-dioxo-1,2-thiazol-3-imine
SMILESCOc1ccccc1C/N=C1\NS(=O)(=O)C(c2ccc(F)cc2)=C1C
InChIInChI=1S/C18H17FN2O3S/c1-12-17(13-7-9-15(19)10-8-13)25(22,23)21-18(12)20-11-14-5-3-4-6-16(14)24-2/h3-10H,11H2,1-2H3,(H,20,21)
InChIKeyVYHOZKJECURAMG-UHFFFAOYSA-N
XLogP3.10
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-methoxybenzyl)cinnamamidine
CID 9900027
N-(2-Methoxy-benzyl)-4-trifluoromethoxy-benzamidine
CID 9797323
1-(2-Fluorophenyl)sulfonyl-2-[2-(2-methoxyphenyl)ethyl]guanidine
CID 7197542
N'-[12-[[amino-(2-methoxyphenyl)methylidene]amino]dodecyl]-2-methoxybenzenecarboximidamide;dihydrochloride
CID 52942914
2,5-difluoro-N-(N-(4-methoxyphenethyl)carbamimidoyl)benzenesulfonamide
CID 7197423
1-(Benzenesulfonyl)-2-[2-(2-methoxyphenyl)ethyl]guanidine
CID 7197512
1-(4-Fluorophenyl)sulfonyl-2-[2-(4-methoxyphenyl)ethyl]guanidine
CID 7197435
1-(4-Fluorophenyl)sulfonyl-2-[2-(2-methoxyphenyl)ethyl]guanidine
CID 7197515
N-(N-(2-methoxyphenethyl)carbamimidoyl)-4-methylbenzenesulfonamide
CID 7197531
2,5-difluoro-N-(N-(2-methoxyphenethyl)carbamimidoyl)benzenesulfonamide
CID 7197500
N-(4-Isopropoxybenzyl)-5-(4-methoxyphenyl)-4-methyl-3-isothiazolamine 1,1-dioxide
CID 135546898
N-(4-Isopropoxybenzyl)-5-(4-isopropylphenyl)-4-methyl-3-isothiazolamine 1,1-dioxide
CID 135546904

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-4-methyl-1,1-dioxo-1,2-thiazol-3-imine?
The IUPAC name of 5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-4-methyl-1,1-dioxo-1,2-thiazol-3-imine (CID 135735938) is 5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-4-methyl-1,1-dioxo-1,2-thiazol-3-imine.
What is the SMILES notation for 5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-4-methyl-1,1-dioxo-1,2-thiazol-3-imine?
The canonical SMILES for 5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-4-methyl-1,1-dioxo-1,2-thiazol-3-imine is COc1ccccc1C/N=C1\NS(=O)(=O)C(c2ccc(F)cc2)=C1C.
What is the InChIKey of 5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-4-methyl-1,1-dioxo-1,2-thiazol-3-imine?
The InChIKey is VYHOZKJECURAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O3S/c1-12-17(13-7-9-15(19)10-8-13)25(22,23)21-18(12)20-11-14-5-3-4-6-16(14)24-2/h3-10H,11H2,1-2H3,(H,20,21).
What are the key properties of 5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-4-methyl-1,1-dioxo-1,2-thiazol-3-imine?
5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-4-methyl-1,1-dioxo-1,2-thiazol-3-imine has a molecular weight of 360.41 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-4-methyl-1,1-dioxo-1,2-thiazol-3-imine is sourced from PubChem (CID 135735938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).