N-[4-chloro-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-2-methylbenzamide

C19H19ClN2O2S — CID 41203162

IUPACN-[4-chloro-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-2-methylbenzamide
SMILESCCOCCn1/c(=N/C(=O)c2ccccc2C)sc2cccc(Cl)c21
InChIInChI=1S/C19H19ClN2O2S/c1-3-24-12-11-22-17-15(20)9-6-10-16(17)25-19(22)21-18(23)14-8-5-4-7-13(14)2/h4-10H,3,11-12H2,1-2H3/b21-19-
InChIKeyBVBIMMRJSKSRBI-VZCXRCSSSA-N
MW374.89 g/mol
LogP4.44
Rot. Bonds5

About N-[4-chloro-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-2-methylbenzamide

N-[4-chloro-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-2-methylbenzamide (PubChem CID 41203162) has the molecular formula C19H19ClN2O2S and a molecular weight of 374.89 g/mol. Its IUPAC name is N-[4-chloro-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-2-methylbenzamide.

Molecular Properties

Compound NameN-[4-chloro-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-2-methylbenzamide
PubChem CID41203162
Molecular FormulaC19H19ClN2O2S
Molecular Weight374.89 g/mol
Exact Mass374.09
IUPAC NameN-[4-chloro-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-2-methylbenzamide
SMILESCCOCCn1/c(=N/C(=O)c2ccccc2C)sc2cccc(Cl)c21
InChIInChI=1S/C19H19ClN2O2S/c1-3-24-12-11-22-17-15(20)9-6-10-16(17)25-19(22)21-18(23)14-8-5-4-7-13(14)2/h4-10H,3,11-12H2,1-2H3/b21-19-
InChIKeyBVBIMMRJSKSRBI-VZCXRCSSSA-N
XLogP4.44
TPSA43.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.89
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[4-chloro-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-2-methylbenzamide 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-[3-(2-ethoxyethyl)-4-methoxy-1,3-benzothiazol-2-ylidene]-2-methylbenzamide
CID 41203157
N-[4-chloro-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-4-methylbenzamide
CID 41202322
N-[4-chloro-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-4-ethoxybenzamide
CID 41203222
2-chloro-N-(4-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 4187487
5-chloro-N-[3-(2-ethoxyethyl)-4-methyl-1,3-benzothiazol-2-ylidene]thiophene-2-carboxamide
CID 41202731
N-[4-ethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-methylbenzamide
CID 40888430
N-(4-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-2-methoxybenzamide
CID 41001431
N-[3-(2-ethoxyethyl)-5,6-dimethoxy-1,3-benzothiazol-2-ylidene]-2-methylbenzamide
CID 40508975
N-[5-chloro-3-(2-ethoxyethyl)-4-methyl-1,3-benzothiazol-2-ylidene]-2-phenoxybenzamide
CID 43939471
N-[4-chloro-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-5-nitrofuran-2-carboxamide
CID 7153270
4-[benzyl(methyl)sulfamoyl]-N-[4-chloro-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide
CID 43939447
N-[3-(2-ethoxyethyl)-4,6-dimethyl-1,3-benzothiazol-2-ylidene]-2-iodobenzamide
CID 43939395

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-2-methylbenzamide?
The IUPAC name of N-[4-chloro-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-2-methylbenzamide (CID 41203162) is N-[4-chloro-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-2-methylbenzamide.
What is the SMILES notation for N-[4-chloro-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-2-methylbenzamide?
The canonical SMILES for N-[4-chloro-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-2-methylbenzamide is CCOCCn1/c(=N/C(=O)c2ccccc2C)sc2cccc(Cl)c21.
What is the InChIKey of N-[4-chloro-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-2-methylbenzamide?
The InChIKey is BVBIMMRJSKSRBI-VZCXRCSSSA-N. The full InChI is InChI=1S/C19H19ClN2O2S/c1-3-24-12-11-22-17-15(20)9-6-10-16(17)25-19(22)21-18(23)14-8-5-4-7-13(14)2/h4-10H,3,11-12H2,1-2H3/b21-19-.
What are the key properties of N-[4-chloro-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-2-methylbenzamide?
N-[4-chloro-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-2-methylbenzamide has a molecular weight of 374.89 g/mol, XLogP of 4.44, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-2-methylbenzamide is sourced from PubChem (CID 41203162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).