5-chloro-N-[6-chloro-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-2-methoxybenzamide

C19H18Cl2N2O3S — CID 43937272

IUPAC5-chloro-N-[6-chloro-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-2-methoxybenzamide
SMILESCCOCCn1/c(=N/C(=O)c2cc(Cl)ccc2OC)sc2cc(Cl)ccc21
InChIInChI=1S/C19H18Cl2N2O3S/c1-3-26-9-8-23-15-6-4-13(21)11-17(15)27-19(23)22-18(24)14-10-12(20)5-7-16(14)25-2/h4-7,10-11H,3,8-9H2,1-2H3/b22-19-
InChIKeySXVQVZRZMVOULI-QOCHGBHMSA-N
MW425.34 g/mol
LogP4.80
Rot. Bonds6

About 5-chloro-N-[6-chloro-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-2-methoxybenzamide

5-chloro-N-[6-chloro-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-2-methoxybenzamide (PubChem CID 43937272) has the molecular formula C19H18Cl2N2O3S and a molecular weight of 425.34 g/mol. Its IUPAC name is 5-chloro-N-[6-chloro-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-2-methoxybenzamide.

Molecular Properties

Compound Name5-chloro-N-[6-chloro-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-2-methoxybenzamide
PubChem CID43937272
Molecular FormulaC19H18Cl2N2O3S
Molecular Weight425.34 g/mol
Exact Mass424.04
IUPAC Name5-chloro-N-[6-chloro-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-2-methoxybenzamide
SMILESCCOCCn1/c(=N/C(=O)c2cc(Cl)ccc2OC)sc2cc(Cl)ccc21
InChIInChI=1S/C19H18Cl2N2O3S/c1-3-26-9-8-23-15-6-4-13(21)11-17(15)27-19(23)22-18(24)14-10-12(20)5-7-16(14)25-2/h4-7,10-11H,3,8-9H2,1-2H3/b22-19-
InChIKeySXVQVZRZMVOULI-QOCHGBHMSA-N
XLogP4.80
TPSA52.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.34
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-[6-fluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-methoxybenzamide
CID 43937943
2,4-dichloro-N-[3-(2-ethoxyethyl)-5,6-dimethoxy-1,3-benzothiazol-2-ylidene]benzamide
CID 41092085
ethyl 2-[6-chloro-2-(5-chloro-2-methoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetate
CID 43940393
N-[3-(2-ethoxyethyl)-6-sulfamoyl-1,3-benzothiazol-2-ylidene]-2,5-dimethoxybenzamide
CID 16848956
N-[6-ethoxy-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-2-methoxybenzamide
CID 4105205
N-(6-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)-2-methoxybenzamide
CID 3453349
N-(6-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-3-methoxynaphthalene-2-carboxamide
CID 43984683
N-[6-chloro-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-5-methyl-1,2-oxazole-3-carboxamide
CID 16953899
N-[3-(2-ethoxyethyl)-6-fluoro-1,3-benzothiazol-2-ylidene]-3-methoxynaphthalene-2-carboxamide
CID 4106625
N-[6-chloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-3,4,5-trimethoxybenzamide
CID 4658804
N-[3-(2-ethoxyethyl)-5,6-dimethoxy-1,3-benzothiazol-2-ylidene]-2-methylbenzamide
CID 40508975
methyl 2-(2,6-dimethoxybenzoyl)imino-3-(2-ethoxyethyl)-1,3-benzothiazole-6-carboxylate
CID 4060413

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[6-chloro-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-2-methoxybenzamide?
The IUPAC name of 5-chloro-N-[6-chloro-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-2-methoxybenzamide (CID 43937272) is 5-chloro-N-[6-chloro-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-2-methoxybenzamide.
What is the SMILES notation for 5-chloro-N-[6-chloro-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-2-methoxybenzamide?
The canonical SMILES for 5-chloro-N-[6-chloro-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-2-methoxybenzamide is CCOCCn1/c(=N/C(=O)c2cc(Cl)ccc2OC)sc2cc(Cl)ccc21.
What is the InChIKey of 5-chloro-N-[6-chloro-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-2-methoxybenzamide?
The InChIKey is SXVQVZRZMVOULI-QOCHGBHMSA-N. The full InChI is InChI=1S/C19H18Cl2N2O3S/c1-3-26-9-8-23-15-6-4-13(21)11-17(15)27-19(23)22-18(24)14-10-12(20)5-7-16(14)25-2/h4-7,10-11H,3,8-9H2,1-2H3/b22-19-.
What are the key properties of 5-chloro-N-[6-chloro-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-2-methoxybenzamide?
5-chloro-N-[6-chloro-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-2-methoxybenzamide has a molecular weight of 425.34 g/mol, XLogP of 4.80, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[6-chloro-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-2-methoxybenzamide is sourced from PubChem (CID 43937272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).