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

C18H16Cl2N2O2S — CID 41202172

IUPACN-[4,6-dichloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-phenylacetamide
SMILESCOCCn1/c(=N/C(=O)Cc2ccccc2)sc2cc(Cl)cc(Cl)c21
InChIInChI=1S/C18H16Cl2N2O2S/c1-24-8-7-22-17-14(20)10-13(19)11-15(17)25-18(22)21-16(23)9-12-5-3-2-4-6-12/h2-6,10-11H,7-9H2,1H3/b21-18-
InChIKeyQMUQBOOAWMHDPP-UZYVYHOESA-N
MW395.31 g/mol
LogP4.33
Rot. Bonds5

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

N-[4,6-dichloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-phenylacetamide (PubChem CID 41202172) has the molecular formula C18H16Cl2N2O2S and a molecular weight of 395.31 g/mol. Its IUPAC name is N-[4,6-dichloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-phenylacetamide.

Molecular Properties

Compound NameN-[4,6-dichloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-phenylacetamide
PubChem CID41202172
Molecular FormulaC18H16Cl2N2O2S
Molecular Weight395.31 g/mol
Exact Mass394.03
IUPAC NameN-[4,6-dichloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-phenylacetamide
SMILESCOCCn1/c(=N/C(=O)Cc2ccccc2)sc2cc(Cl)cc(Cl)c21
InChIInChI=1S/C18H16Cl2N2O2S/c1-24-8-7-22-17-14(20)10-13(19)11-15(17)25-18(22)21-16(23)9-12-5-3-2-4-6-12/h2-6,10-11H,7-9H2,1H3/b21-18-
InChIKeyQMUQBOOAWMHDPP-UZYVYHOESA-N
XLogP4.33
TPSA43.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.31
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

(E)-N-[4,6-dichloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-3-phenylprop-2-enamide
CID 40886412
N-[4,6-dichloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-methylpropanamide
CID 7153062
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]-3-methoxybenzamide
CID 40886375
methyl 3-(2-methoxyethyl)-2-(2-phenylacetyl)imino-1,3-benzothiazole-6-carboxylate
CID 3698292
methyl 2-[4,6-dichloro-2-(3-phenylpropanoylimino)-1,3-benzothiazol-3-yl]acetate
CID 41205021
N-[4,6-dichloro-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide
CID 41202306
N-(4-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-2-phenylacetamide
CID 41001527
N-[4,6-dichloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-(diethylamino)benzamide
CID 41202017
N-[4,6-dichloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-3,4,5-trimethoxybenzamide
CID 40886403
2-(4-chlorophenyl)-N-[3-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-ylidene]acetamide
CID 16912282
N-[4,6-dichloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 40886532

Frequently Asked Questions

What is the IUPAC name of N-[4,6-dichloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-phenylacetamide?
The IUPAC name of N-[4,6-dichloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-phenylacetamide (CID 41202172) is N-[4,6-dichloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-phenylacetamide.
What is the SMILES notation for N-[4,6-dichloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-phenylacetamide?
The canonical SMILES for N-[4,6-dichloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-phenylacetamide is COCCn1/c(=N/C(=O)Cc2ccccc2)sc2cc(Cl)cc(Cl)c21.
What is the InChIKey of N-[4,6-dichloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-phenylacetamide?
The InChIKey is QMUQBOOAWMHDPP-UZYVYHOESA-N. The full InChI is InChI=1S/C18H16Cl2N2O2S/c1-24-8-7-22-17-14(20)10-13(19)11-15(17)25-18(22)21-16(23)9-12-5-3-2-4-6-12/h2-6,10-11H,7-9H2,1H3/b21-18-.
What are the key properties of N-[4,6-dichloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-phenylacetamide?
N-[4,6-dichloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-phenylacetamide has a molecular weight of 395.31 g/mol, XLogP of 4.33, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,6-dichloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-phenylacetamide is sourced from PubChem (CID 41202172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).