N-[3-(2-methoxyethyl)-4,6-dimethyl-1,3-benzothiazol-2-ylidene]acetamide

C14H18N2O2S — CID 7152867

IUPACN-[3-(2-methoxyethyl)-4,6-dimethyl-1,3-benzothiazol-2-ylidene]acetamide
SMILESCOCCn1/c(=N/C(C)=O)sc2cc(C)cc(C)c21
InChIInChI=1S/C14H18N2O2S/c1-9-7-10(2)13-12(8-9)19-14(15-11(3)17)16(13)5-6-18-4/h7-8H,5-6H2,1-4H3/b15-14-
InChIKeyNNIVYOLAPILVHN-PFONDFGASA-N
MW278.38 g/mol
LogP2.41
Rot. Bonds3

About N-[3-(2-methoxyethyl)-4,6-dimethyl-1,3-benzothiazol-2-ylidene]acetamide

N-[3-(2-methoxyethyl)-4,6-dimethyl-1,3-benzothiazol-2-ylidene]acetamide (PubChem CID 7152867) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is N-[3-(2-methoxyethyl)-4,6-dimethyl-1,3-benzothiazol-2-ylidene]acetamide.

Molecular Properties

Compound NameN-[3-(2-methoxyethyl)-4,6-dimethyl-1,3-benzothiazol-2-ylidene]acetamide
PubChem CID7152867
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC NameN-[3-(2-methoxyethyl)-4,6-dimethyl-1,3-benzothiazol-2-ylidene]acetamide
SMILESCOCCn1/c(=N/C(C)=O)sc2cc(C)cc(C)c21
InChIInChI=1S/C14H18N2O2S/c1-9-7-10(2)13-12(8-9)19-14(15-11(3)17)16(13)5-6-18-4/h7-8H,5-6H2,1-4H3/b15-14-
InChIKeyNNIVYOLAPILVHN-PFONDFGASA-N
XLogP2.41
TPSA43.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,4,5-trimethoxy-N-[3-(2-methoxyethyl)-4,6-dimethyl-1,3-benzothiazol-2-ylidene]benzamide
CID 40886408
4-butoxy-N-[3-(2-methoxyethyl)-4,6-dimethyl-1,3-benzothiazol-2-ylidene]benzamide
CID 40886422
N-[3-(2-methoxyethyl)-4,6-dimethyl-1,3-benzothiazol-2-ylidene]-5-nitrothiophene-2-carboxamide
CID 7152940
3-(2,5-dioxopyrrolidin-1-yl)-N-[3-(2-methoxyethyl)-4,6-dimethyl-1,3-benzothiazol-2-ylidene]benzamide
CID 40886638
4-[benzyl(ethyl)sulfamoyl]-N-[3-(2-methoxyethyl)-4,6-dimethyl-1,3-benzothiazol-2-ylidene]benzamide
CID 43938923
N-[3-(2-ethoxyethyl)-4,6-dimethyl-1,3-benzothiazol-2-ylidene]-2,4-dimethylbenzamide
CID 41203555
N-[3-(2-methoxyethyl)-4,6-dimethyl-1,3-benzothiazol-2-ylidene]-3-oxobenzo[f]chromene-2-carboxamide
CID 40888246
N-[3-(2-ethoxyethyl)-4,6-dimethyl-1,3-benzothiazol-2-ylidene]-2-iodobenzamide
CID 43939395
ethyl 2-acetylimino-3-(2-methoxyethyl)-1,3-benzothiazole-6-carboxylate
CID 4197845
4-[bis(2-methoxyethyl)sulfamoyl]-N-(3-ethyl-4,6-dimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 4161990
N-[3-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-ylidene]propanamide
CID 5073898
N-(4,6-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)propanamide
CID 7152831

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methoxyethyl)-4,6-dimethyl-1,3-benzothiazol-2-ylidene]acetamide?
The IUPAC name of N-[3-(2-methoxyethyl)-4,6-dimethyl-1,3-benzothiazol-2-ylidene]acetamide (CID 7152867) is N-[3-(2-methoxyethyl)-4,6-dimethyl-1,3-benzothiazol-2-ylidene]acetamide.
What is the SMILES notation for N-[3-(2-methoxyethyl)-4,6-dimethyl-1,3-benzothiazol-2-ylidene]acetamide?
The canonical SMILES for N-[3-(2-methoxyethyl)-4,6-dimethyl-1,3-benzothiazol-2-ylidene]acetamide is COCCn1/c(=N/C(C)=O)sc2cc(C)cc(C)c21.
What is the InChIKey of N-[3-(2-methoxyethyl)-4,6-dimethyl-1,3-benzothiazol-2-ylidene]acetamide?
The InChIKey is NNIVYOLAPILVHN-PFONDFGASA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-9-7-10(2)13-12(8-9)19-14(15-11(3)17)16(13)5-6-18-4/h7-8H,5-6H2,1-4H3/b15-14-.
What are the key properties of N-[3-(2-methoxyethyl)-4,6-dimethyl-1,3-benzothiazol-2-ylidene]acetamide?
N-[3-(2-methoxyethyl)-4,6-dimethyl-1,3-benzothiazol-2-ylidene]acetamide has a molecular weight of 278.38 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methoxyethyl)-4,6-dimethyl-1,3-benzothiazol-2-ylidene]acetamide is sourced from PubChem (CID 7152867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).