2-chloro-N-[3-(2-ethoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]benzamide

C20H21ClN2O2S — CID 41202345

IUPAC2-chloro-N-[3-(2-ethoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]benzamide
SMILESCCOCCn1/c(=N/C(=O)c2ccccc2Cl)sc2c(C)cc(C)cc21
InChIInChI=1S/C20H21ClN2O2S/c1-4-25-10-9-23-17-12-13(2)11-14(3)18(17)26-20(23)22-19(24)15-7-5-6-8-16(15)21/h5-8,11-12H,4,9-10H2,1-3H3/b22-20-
InChIKeyGUDCKXDCWWXVRZ-XDOYNYLZSA-N
MW388.92 g/mol
LogP4.75
Rot. Bonds5

About 2-chloro-N-[3-(2-ethoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]benzamide

2-chloro-N-[3-(2-ethoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]benzamide (PubChem CID 41202345) has the molecular formula C20H21ClN2O2S and a molecular weight of 388.92 g/mol. Its IUPAC name is 2-chloro-N-[3-(2-ethoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-(2-ethoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]benzamide
PubChem CID41202345
Molecular FormulaC20H21ClN2O2S
Molecular Weight388.92 g/mol
Exact Mass388.10
IUPAC Name2-chloro-N-[3-(2-ethoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]benzamide
SMILESCCOCCn1/c(=N/C(=O)c2ccccc2Cl)sc2c(C)cc(C)cc21
InChIInChI=1S/C20H21ClN2O2S/c1-4-25-10-9-23-17-12-13(2)11-14(3)18(17)26-20(23)22-19(24)15-7-5-6-8-16(15)21/h5-8,11-12H,4,9-10H2,1-3H3/b22-20-
InChIKeyGUDCKXDCWWXVRZ-XDOYNYLZSA-N
XLogP4.75
TPSA43.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.92
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-ethoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]-2,5-dimethoxybenzamide
CID 16848926
N-[3-(2-ethoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]-4-propan-2-yloxybenzamide
CID 41203294
2-(4-chlorophenoxy)-N-[3-(2-ethoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]acetamide
CID 41202829
N-(5,7-dimethyl-3-propyl-1,3-benzothiazol-2-ylidene)-2-fluorobenzamide
CID 41136849
N-[3-(2-ethoxyethyl)-4,6-dimethyl-1,3-benzothiazol-2-ylidene]-2-iodobenzamide
CID 43939395
3-(benzenesulfonyl)-N-[3-(2-ethoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]propanamide
CID 42387912
N-[4-chloro-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-2-methylbenzamide
CID 41203162
N-[3-(2-ethoxyethyl)-4,6-dimethyl-1,3-benzothiazol-2-ylidene]-2,4-dimethylbenzamide
CID 41203555
4-benzylsulfanyl-N-[3-(2-ethoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]butanamide
CID 121055339
2-chloro-N-[3-(2-methoxyethyl)-5,6-dimethyl-1,3-benzothiazol-2-ylidene]benzamide
CID 41048157
4-[bis(2-methoxyethyl)sulfamoyl]-N-[3-(2-ethoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]benzamide
CID 43939489
4-[cyclopropyl(methyl)sulfamoyl]-N-[3-(2-ethoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]benzamide
CID 41364152

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-(2-ethoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]benzamide?
The IUPAC name of 2-chloro-N-[3-(2-ethoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]benzamide (CID 41202345) is 2-chloro-N-[3-(2-ethoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]benzamide.
What is the SMILES notation for 2-chloro-N-[3-(2-ethoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]benzamide?
The canonical SMILES for 2-chloro-N-[3-(2-ethoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]benzamide is CCOCCn1/c(=N/C(=O)c2ccccc2Cl)sc2c(C)cc(C)cc21.
What is the InChIKey of 2-chloro-N-[3-(2-ethoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]benzamide?
The InChIKey is GUDCKXDCWWXVRZ-XDOYNYLZSA-N. The full InChI is InChI=1S/C20H21ClN2O2S/c1-4-25-10-9-23-17-12-13(2)11-14(3)18(17)26-20(23)22-19(24)15-7-5-6-8-16(15)21/h5-8,11-12H,4,9-10H2,1-3H3/b22-20-.
What are the key properties of 2-chloro-N-[3-(2-ethoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]benzamide?
2-chloro-N-[3-(2-ethoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]benzamide has a molecular weight of 388.92 g/mol, XLogP of 4.75, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-(2-ethoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]benzamide is sourced from PubChem (CID 41202345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).