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

C20H22N2O2S — CID 40885254

IUPACN-(3-ethyl-4-methoxy-7-methyl-1,3-benzothiazol-2-ylidene)-3,4-dimethylbenzamide
SMILESCCn1/c(=N/C(=O)c2ccc(C)c(C)c2)sc2c(C)ccc(OC)c21
InChIInChI=1S/C20H22N2O2S/c1-6-22-17-16(24-5)10-8-13(3)18(17)25-20(22)21-19(23)15-9-7-12(2)14(4)11-15/h7-11H,6H2,1-5H3/b21-20-
InChIKeyBPFHUWYIQJZKLA-MRCUWXFGSA-N
MW354.48 g/mol
LogP4.40
Rot. Bonds3

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

N-(3-ethyl-4-methoxy-7-methyl-1,3-benzothiazol-2-ylidene)-3,4-dimethylbenzamide (PubChem CID 40885254) has the molecular formula C20H22N2O2S and a molecular weight of 354.48 g/mol. Its IUPAC name is N-(3-ethyl-4-methoxy-7-methyl-1,3-benzothiazol-2-ylidene)-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-(3-ethyl-4-methoxy-7-methyl-1,3-benzothiazol-2-ylidene)-3,4-dimethylbenzamide
PubChem CID40885254
Molecular FormulaC20H22N2O2S
Molecular Weight354.48 g/mol
Exact Mass354.14
IUPAC NameN-(3-ethyl-4-methoxy-7-methyl-1,3-benzothiazol-2-ylidene)-3,4-dimethylbenzamide
SMILESCCn1/c(=N/C(=O)c2ccc(C)c(C)c2)sc2c(C)ccc(OC)c21
InChIInChI=1S/C20H22N2O2S/c1-6-22-17-16(24-5)10-8-13(3)18(17)25-20(22)21-19(23)15-9-7-12(2)14(4)11-15/h7-11H,6H2,1-5H3/b21-20-
InChIKeyBPFHUWYIQJZKLA-MRCUWXFGSA-N
XLogP4.40
TPSA43.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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)-3-nitrobenzamide
CID 2150822
N-(3-ethyl-4-methoxy-7-methyl-1,3-benzothiazol-2-ylidene)-2,5-dimethoxybenzamide
CID 16849030
2,4-dichloro-N-(3-ethyl-4-methoxy-7-methyl-1,3-benzothiazol-2-ylidene)benzamide
CID 40885192
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
4-[cyclohexyl(methyl)sulfamoyl]-N-(3-ethyl-4-methoxy-7-methyl-1,3-benzothiazol-2-ylidene)benzamide
CID 4612904
4-(2,5-dihydroxypyrrol-1-yl)-N-(3-ethyl-4,7-dimethoxy-1,3-benzothiazol-2-ylidene)benzamide
CID 91896481
N-(3-ethyl-4,7-dimethoxy-1,3-benzothiazol-2-ylidene)-3-methylsulfanylbenzamide
CID 40694939
N-(4-methoxy-7-methyl-3-propyl-1,3-benzothiazol-2-ylidene)-3,5-dinitrobenzamide
CID 41136959
N-(3-ethyl-4,7-dimethoxy-1,3-benzothiazol-2-ylidene)-4-nitrobenzamide
CID 2150817
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 N-(3-ethyl-4-methoxy-7-methyl-1,3-benzothiazol-2-ylidene)-3,4-dimethylbenzamide?
The IUPAC name of N-(3-ethyl-4-methoxy-7-methyl-1,3-benzothiazol-2-ylidene)-3,4-dimethylbenzamide (CID 40885254) is N-(3-ethyl-4-methoxy-7-methyl-1,3-benzothiazol-2-ylidene)-3,4-dimethylbenzamide.
What is the SMILES notation for N-(3-ethyl-4-methoxy-7-methyl-1,3-benzothiazol-2-ylidene)-3,4-dimethylbenzamide?
The canonical SMILES for N-(3-ethyl-4-methoxy-7-methyl-1,3-benzothiazol-2-ylidene)-3,4-dimethylbenzamide is CCn1/c(=N/C(=O)c2ccc(C)c(C)c2)sc2c(C)ccc(OC)c21.
What is the InChIKey of N-(3-ethyl-4-methoxy-7-methyl-1,3-benzothiazol-2-ylidene)-3,4-dimethylbenzamide?
The InChIKey is BPFHUWYIQJZKLA-MRCUWXFGSA-N. The full InChI is InChI=1S/C20H22N2O2S/c1-6-22-17-16(24-5)10-8-13(3)18(17)25-20(22)21-19(23)15-9-7-12(2)14(4)11-15/h7-11H,6H2,1-5H3/b21-20-.
What are the key properties of N-(3-ethyl-4-methoxy-7-methyl-1,3-benzothiazol-2-ylidene)-3,4-dimethylbenzamide?
N-(3-ethyl-4-methoxy-7-methyl-1,3-benzothiazol-2-ylidene)-3,4-dimethylbenzamide has a molecular weight of 354.48 g/mol, XLogP of 4.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-4-methoxy-7-methyl-1,3-benzothiazol-2-ylidene)-3,4-dimethylbenzamide is sourced from PubChem (CID 40885254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).