N-[4,6-dichloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-3,4,5-trimethoxybenzamide

C20H20Cl2N2O5S — CID 40886403

IUPACN-[4,6-dichloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-3,4,5-trimethoxybenzamide
SMILESCOCCn1/c(=N/C(=O)c2cc(OC)c(OC)c(OC)c2)sc2cc(Cl)cc(Cl)c21
InChIInChI=1S/C20H20Cl2N2O5S/c1-26-6-5-24-17-13(22)9-12(21)10-16(17)30-20(24)23-19(25)11-7-14(27-2)18(29-4)15(8-11)28-3/h7-10H,5-6H2,1-4H3/b23-20-
InChIKeyZPJRGSZXUOKRFH-ATJXCDBQSA-N
MW471.36 g/mol
LogP4.42
Rot. Bonds7

About N-[4,6-dichloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-3,4,5-trimethoxybenzamide

N-[4,6-dichloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-3,4,5-trimethoxybenzamide (PubChem CID 40886403) has the molecular formula C20H20Cl2N2O5S and a molecular weight of 471.36 g/mol. Its IUPAC name is N-[4,6-dichloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[4,6-dichloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-3,4,5-trimethoxybenzamide
PubChem CID40886403
Molecular FormulaC20H20Cl2N2O5S
Molecular Weight471.36 g/mol
Exact Mass470.05
IUPAC NameN-[4,6-dichloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-3,4,5-trimethoxybenzamide
SMILESCOCCn1/c(=N/C(=O)c2cc(OC)c(OC)c(OC)c2)sc2cc(Cl)cc(Cl)c21
InChIInChI=1S/C20H20Cl2N2O5S/c1-26-6-5-24-17-13(22)9-12(21)10-16(17)30-20(24)23-19(25)11-7-14(27-2)18(29-4)15(8-11)28-3/h7-10H,5-6H2,1-4H3/b23-20-
InChIKeyZPJRGSZXUOKRFH-ATJXCDBQSA-N
XLogP4.42
TPSA71.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.36
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-[4,6-dichloro-3-(2-methoxyethyl)-1,3-benzothiazol-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

Related Compounds

N-[6-chloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-3,4,5-trimethoxybenzamide
CID 4658804
ethyl 2-[4,6-dichloro-2-(3,4,5-trimethoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetate
CID 41203814
3,4,5-trimethoxy-N-[3-(2-methoxyethyl)-4,6-dimethyl-1,3-benzothiazol-2-ylidene]benzamide
CID 40886408
N-[4,6-dichloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-3-methoxybenzamide
CID 40886375
2,4-dichloro-N-[4,6-dichloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide
CID 43938634
N-[4,6-dichloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-(diethylamino)benzamide
CID 41202017
3,5-dichloro-N-[4,6-dichloro-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide
CID 43939049
N-[4,6-dichloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-methylpropanamide
CID 7153062
N-[4,6-dichloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-(diethylsulfamoyl)benzamide
CID 40886330
N-[4-ethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-3,4,5-trimethoxybenzamide
CID 40886407
N-[4,6-dichloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 40886532
methyl 2-[4,6-dichloro-2-(3,4-dimethoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetate
CID 41204726

Frequently Asked Questions

What is the IUPAC name of N-[4,6-dichloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[4,6-dichloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-3,4,5-trimethoxybenzamide (CID 40886403) is N-[4,6-dichloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[4,6-dichloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[4,6-dichloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-3,4,5-trimethoxybenzamide is COCCn1/c(=N/C(=O)c2cc(OC)c(OC)c(OC)c2)sc2cc(Cl)cc(Cl)c21.
What is the InChIKey of N-[4,6-dichloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-3,4,5-trimethoxybenzamide?
The InChIKey is ZPJRGSZXUOKRFH-ATJXCDBQSA-N. The full InChI is InChI=1S/C20H20Cl2N2O5S/c1-26-6-5-24-17-13(22)9-12(21)10-16(17)30-20(24)23-19(25)11-7-14(27-2)18(29-4)15(8-11)28-3/h7-10H,5-6H2,1-4H3/b23-20-.
What are the key properties of N-[4,6-dichloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-3,4,5-trimethoxybenzamide?
N-[4,6-dichloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-3,4,5-trimethoxybenzamide has a molecular weight of 471.36 g/mol, XLogP of 4.42, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,6-dichloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 40886403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).