2,4-dichloro-N-(3-ethyl-4-methoxy-7-methyl-1,3-benzothiazol-2-ylidene)benzamide

C18H16Cl2N2O2S — CID 40885192

IUPAC2,4-dichloro-N-(3-ethyl-4-methoxy-7-methyl-1,3-benzothiazol-2-ylidene)benzamide
SMILESCCn1/c(=N/C(=O)c2ccc(Cl)cc2Cl)sc2c(C)ccc(OC)c21
InChIInChI=1S/C18H16Cl2N2O2S/c1-4-22-15-14(24-3)8-5-10(2)16(15)25-18(22)21-17(23)12-7-6-11(19)9-13(12)20/h5-9H,4H2,1-3H3/b21-18-
InChIKeyNWCOAEMJIRQMCO-UZYVYHOESA-N
MW395.31 g/mol
LogP5.09
Rot. Bonds3

About 2,4-dichloro-N-(3-ethyl-4-methoxy-7-methyl-1,3-benzothiazol-2-ylidene)benzamide

2,4-dichloro-N-(3-ethyl-4-methoxy-7-methyl-1,3-benzothiazol-2-ylidene)benzamide (PubChem CID 40885192) has the molecular formula C18H16Cl2N2O2S and a molecular weight of 395.31 g/mol. Its IUPAC name is 2,4-dichloro-N-(3-ethyl-4-methoxy-7-methyl-1,3-benzothiazol-2-ylidene)benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-(3-ethyl-4-methoxy-7-methyl-1,3-benzothiazol-2-ylidene)benzamide
PubChem CID40885192
Molecular FormulaC18H16Cl2N2O2S
Molecular Weight395.31 g/mol
Exact Mass394.03
IUPAC Name2,4-dichloro-N-(3-ethyl-4-methoxy-7-methyl-1,3-benzothiazol-2-ylidene)benzamide
SMILESCCn1/c(=N/C(=O)c2ccc(Cl)cc2Cl)sc2c(C)ccc(OC)c21
InChIInChI=1S/C18H16Cl2N2O2S/c1-4-22-15-14(24-3)8-5-10(2)16(15)25-18(22)21-17(23)12-7-6-11(19)9-13(12)20/h5-9H,4H2,1-3H3/b21-18-
InChIKeyNWCOAEMJIRQMCO-UZYVYHOESA-N
XLogP5.09
TPSA43.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.31
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-ethyl-4-methoxy-7-methyl-1,3-benzothiazol-2-ylidene)-2,5-dimethoxybenzamide
CID 16849030
N-(3-ethyl-4-methoxy-7-methyl-1,3-benzothiazol-2-ylidene)-3,4-dimethylbenzamide
CID 40885254
3,4,5-triethoxy-N-(3-ethyl-4-methoxy-7-methyl-1,3-benzothiazol-2-ylidene)benzamide
CID 40885456
N-(3-ethyl-4-methoxy-7-methyl-1,3-benzothiazol-2-ylidene)cyclopropanecarboxamide
CID 2150938
N-(3-ethyl-4-methoxy-7-methyl-1,3-benzothiazol-2-ylidene)-2-(2-methoxy-5-methylphenyl)acetamide
CID 16913075
2-chloro-N-(4-methoxy-7-methyl-3-propyl-1,3-benzothiazol-2-ylidene)-5-nitrobenzamide
CID 41136958
N-(3-ethyl-4-methoxy-7-methyl-1,3-benzothiazol-2-ylidene)-3-nitrobenzamide
CID 2150822
2-chloro-N-(4,7-dimethoxy-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 41136983
2,4-dichloro-N-(5,6-dimethoxy-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 41134090
N-(3-ethyl-4-methoxy-7-methyl-1,3-benzothiazol-2-ylidene)-2-(4-propan-2-ylphenyl)acetamide
CID 41362730
ethyl 2-[2-(2,4-dichlorobenzoyl)imino-5,6-dimethoxy-1,3-benzothiazol-3-yl]acetate
CID 41092076
2-(2,5-dioxopyrrolidin-1-yl)-N-(3-ethyl-4-methoxy-7-methyl-1,3-benzothiazol-2-ylidene)acetamide
CID 2151002

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(3-ethyl-4-methoxy-7-methyl-1,3-benzothiazol-2-ylidene)benzamide?
The IUPAC name of 2,4-dichloro-N-(3-ethyl-4-methoxy-7-methyl-1,3-benzothiazol-2-ylidene)benzamide (CID 40885192) is 2,4-dichloro-N-(3-ethyl-4-methoxy-7-methyl-1,3-benzothiazol-2-ylidene)benzamide.
What is the SMILES notation for 2,4-dichloro-N-(3-ethyl-4-methoxy-7-methyl-1,3-benzothiazol-2-ylidene)benzamide?
The canonical SMILES for 2,4-dichloro-N-(3-ethyl-4-methoxy-7-methyl-1,3-benzothiazol-2-ylidene)benzamide is CCn1/c(=N/C(=O)c2ccc(Cl)cc2Cl)sc2c(C)ccc(OC)c21.
What is the InChIKey of 2,4-dichloro-N-(3-ethyl-4-methoxy-7-methyl-1,3-benzothiazol-2-ylidene)benzamide?
The InChIKey is NWCOAEMJIRQMCO-UZYVYHOESA-N. The full InChI is InChI=1S/C18H16Cl2N2O2S/c1-4-22-15-14(24-3)8-5-10(2)16(15)25-18(22)21-17(23)12-7-6-11(19)9-13(12)20/h5-9H,4H2,1-3H3/b21-18-.
What are the key properties of 2,4-dichloro-N-(3-ethyl-4-methoxy-7-methyl-1,3-benzothiazol-2-ylidene)benzamide?
2,4-dichloro-N-(3-ethyl-4-methoxy-7-methyl-1,3-benzothiazol-2-ylidene)benzamide has a molecular weight of 395.31 g/mol, XLogP of 5.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-(3-ethyl-4-methoxy-7-methyl-1,3-benzothiazol-2-ylidene)benzamide is sourced from PubChem (CID 40885192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).