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

C19H19FN2O4S — CID 135735940

IUPACN-[(2,3-dimethoxyphenyl)methyl]-5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-imine
SMILESCOc1cccc(C/N=C2\NS(=O)(=O)C(c3ccc(F)cc3)=C2C)c1OC
InChIInChI=1S/C19H19FN2O4S/c1-12-18(13-7-9-15(20)10-8-13)27(23,24)22-19(12)21-11-14-5-4-6-16(25-2)17(14)26-3/h4-10H,11H2,1-3H3,(H,21,22)
InChIKeyNWIGYWWSDDAIDX-UHFFFAOYSA-N
MW390.44 g/mol
LogP3.11
Rot. Bonds5

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

N-[(2,3-dimethoxyphenyl)methyl]-5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-imine (PubChem CID 135735940) has the molecular formula C19H19FN2O4S and a molecular weight of 390.44 g/mol. Its IUPAC name is N-[(2,3-dimethoxyphenyl)methyl]-5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-imine.

Molecular Properties

Compound NameN-[(2,3-dimethoxyphenyl)methyl]-5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-imine
PubChem CID135735940
Molecular FormulaC19H19FN2O4S
Molecular Weight390.44 g/mol
Exact Mass390.10
IUPAC NameN-[(2,3-dimethoxyphenyl)methyl]-5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-imine
SMILESCOc1cccc(C/N=C2\NS(=O)(=O)C(c3ccc(F)cc3)=C2C)c1OC
InChIInChI=1S/C19H19FN2O4S/c1-12-18(13-7-9-15(20)10-8-13)27(23,24)22-19(12)21-11-14-5-4-6-16(25-2)17(14)26-3/h4-10H,11H2,1-3H3,(H,21,22)
InChIKeyNWIGYWWSDDAIDX-UHFFFAOYSA-N
XLogP3.11
TPSA76.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[(2,3-dimethoxyphenyl)methyl]-5-(4-fluorophenyl)-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

5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-4-methyl-1,1-dioxo-1,2-thiazol-3-imine
CID 135735938
2-[[5-(3,4-dimethylphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-ylidene]amino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 135597530
N-[(2-chlorophenyl)methyl]-5-(3,4-dimethylphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-imine
CID 135546893
1-[(2,3-dimethoxyphenyl)methyl]-3-ethyl-2-[(4-fluorophenyl)methyl]guanidine;hydroiodide
CID 111231252
2-[(2,3-dimethoxyphenyl)methyl]-1-ethyl-3-[2-(5-fluoro-1H-indol-3-yl)ethyl]guanidine
CID 111972914
2-[(2,3-dimethoxyphenyl)methyl]-1-ethyl-3-[(2-fluorophenyl)methyl]guanidine;hydroiodide
CID 111264774
2-[(2,3-dimethoxyphenyl)methyl]-1-ethyl-3-[(2-ethylphenyl)methyl]guanidine;hydroiodide
CID 111636692
1,2-dimethoxy-3-prop-2-ynylbenzene
CID 119082494
3-(2,3-dimethoxyphenyl)-N'-[2-(4-fluorophenyl)acetyl]propanehydrazide
CID 9428782
2-[(2,5-difluorophenyl)methyl]-1-[(2,3-dimethoxyphenyl)methyl]-3-ethylguanidine;hydroiodide
CID 111902996
(2,3-dimethoxyphenyl)methanesulfonic acid
CID 174487670
2-[(2,3-dimethoxyphenyl)methyl]-1-ethyl-3-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]guanidine;hydroiodide
CID 111311767

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-imine?
The IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-imine (CID 135735940) is N-[(2,3-dimethoxyphenyl)methyl]-5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-imine.
What is the SMILES notation for N-[(2,3-dimethoxyphenyl)methyl]-5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-imine?
The canonical SMILES for N-[(2,3-dimethoxyphenyl)methyl]-5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-imine is COc1cccc(C/N=C2\NS(=O)(=O)C(c3ccc(F)cc3)=C2C)c1OC.
What is the InChIKey of N-[(2,3-dimethoxyphenyl)methyl]-5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-imine?
The InChIKey is NWIGYWWSDDAIDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O4S/c1-12-18(13-7-9-15(20)10-8-13)27(23,24)22-19(12)21-11-14-5-4-6-16(25-2)17(14)26-3/h4-10H,11H2,1-3H3,(H,21,22).
What are the key properties of N-[(2,3-dimethoxyphenyl)methyl]-5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-imine?
N-[(2,3-dimethoxyphenyl)methyl]-5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-imine has a molecular weight of 390.44 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethoxyphenyl)methyl]-5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-imine is sourced from PubChem (CID 135735940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).