N-[3-(3-fluorophenyl)-4-methyl-1,3-thiazol-2-ylidene]-3,4,5-trimethoxybenzamide

C20H19FN2O4S — CID 46193662

IUPACN-[3-(3-fluorophenyl)-4-methyl-1,3-thiazol-2-ylidene]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)/N=c2\scc(C)n2-c2cccc(F)c2)cc(OC)c1OC
InChIInChI=1S/C20H19FN2O4S/c1-12-11-28-20(23(12)15-7-5-6-14(21)10-15)22-19(24)13-8-16(25-2)18(27-4)17(9-13)26-3/h5-11H,1-4H3/b22-20-
InChIKeyQDWGYJUTAVQFGL-XDOYNYLZSA-N
MW402.45 g/mol
LogP3.75
Rot. Bonds5

About N-[3-(3-fluorophenyl)-4-methyl-1,3-thiazol-2-ylidene]-3,4,5-trimethoxybenzamide

N-[3-(3-fluorophenyl)-4-methyl-1,3-thiazol-2-ylidene]-3,4,5-trimethoxybenzamide (PubChem CID 46193662) has the molecular formula C20H19FN2O4S and a molecular weight of 402.45 g/mol. Its IUPAC name is N-[3-(3-fluorophenyl)-4-methyl-1,3-thiazol-2-ylidene]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[3-(3-fluorophenyl)-4-methyl-1,3-thiazol-2-ylidene]-3,4,5-trimethoxybenzamide
PubChem CID46193662
Molecular FormulaC20H19FN2O4S
Molecular Weight402.45 g/mol
Exact Mass402.10
IUPAC NameN-[3-(3-fluorophenyl)-4-methyl-1,3-thiazol-2-ylidene]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)/N=c2\scc(C)n2-c2cccc(F)c2)cc(OC)c1OC
InChIInChI=1S/C20H19FN2O4S/c1-12-11-28-20(23(12)15-7-5-6-14(21)10-15)22-19(24)13-8-16(25-2)18(27-4)17(9-13)26-3/h5-11H,1-4H3/b22-20-
InChIKeyQDWGYJUTAVQFGL-XDOYNYLZSA-N
XLogP3.75
TPSA62.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}

Analyze N-[3-(3-fluorophenyl)-4-methyl-1,3-thiazol-2-ylidene]-3,4,5-trimethoxybenzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-fluorophenyl)-4-methyl-1,3-thiazol-2-ylidene]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[3-(3-fluorophenyl)-4-methyl-1,3-thiazol-2-ylidene]-3,4,5-trimethoxybenzamide (CID 46193662) is N-[3-(3-fluorophenyl)-4-methyl-1,3-thiazol-2-ylidene]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[3-(3-fluorophenyl)-4-methyl-1,3-thiazol-2-ylidene]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[3-(3-fluorophenyl)-4-methyl-1,3-thiazol-2-ylidene]-3,4,5-trimethoxybenzamide is COc1cc(C(=O)/N=c2\scc(C)n2-c2cccc(F)c2)cc(OC)c1OC.
What is the InChIKey of N-[3-(3-fluorophenyl)-4-methyl-1,3-thiazol-2-ylidene]-3,4,5-trimethoxybenzamide?
The InChIKey is QDWGYJUTAVQFGL-XDOYNYLZSA-N. The full InChI is InChI=1S/C20H19FN2O4S/c1-12-11-28-20(23(12)15-7-5-6-14(21)10-15)22-19(24)13-8-16(25-2)18(27-4)17(9-13)26-3/h5-11H,1-4H3/b22-20-.
What are the key properties of N-[3-(3-fluorophenyl)-4-methyl-1,3-thiazol-2-ylidene]-3,4,5-trimethoxybenzamide?
N-[3-(3-fluorophenyl)-4-methyl-1,3-thiazol-2-ylidene]-3,4,5-trimethoxybenzamide has a molecular weight of 402.45 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-fluorophenyl)-4-methyl-1,3-thiazol-2-ylidene]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 46193662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).