N-[6-methoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-naphthalen-1-ylacetamide

C23H22N2O3S — CID 4581675

IUPACN-[6-methoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-naphthalen-1-ylacetamide
SMILESCOCCn1/c(=N/C(=O)Cc2cccc3ccccc23)sc2cc(OC)ccc21
InChIInChI=1S/C23H22N2O3S/c1-27-13-12-25-20-11-10-18(28-2)15-21(20)29-23(25)24-22(26)14-17-8-5-7-16-6-3-4-9-19(16)17/h3-11,15H,12-14H2,1-2H3/b24-23-
InChIKeyDGBDUIRFLGLLOA-VHXPQNKSSA-N
MW406.51 g/mol
LogP4.18
Rot. Bonds6

About N-[6-methoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-naphthalen-1-ylacetamide

N-[6-methoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-naphthalen-1-ylacetamide (PubChem CID 4581675) has the molecular formula C23H22N2O3S and a molecular weight of 406.51 g/mol. Its IUPAC name is N-[6-methoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-[6-methoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-naphthalen-1-ylacetamide
PubChem CID4581675
Molecular FormulaC23H22N2O3S
Molecular Weight406.51 g/mol
Exact Mass406.14
IUPAC NameN-[6-methoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-naphthalen-1-ylacetamide
SMILESCOCCn1/c(=N/C(=O)Cc2cccc3ccccc23)sc2cc(OC)ccc21
InChIInChI=1S/C23H22N2O3S/c1-27-13-12-25-20-11-10-18(28-2)15-21(20)29-23(25)24-22(26)14-17-8-5-7-16-6-3-4-9-19(16)17/h3-11,15H,12-14H2,1-2H3/b24-23-
InChIKeyDGBDUIRFLGLLOA-VHXPQNKSSA-N
XLogP4.18
TPSA52.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-methoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-naphthalen-1-ylacetamide?
The IUPAC name of N-[6-methoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-naphthalen-1-ylacetamide (CID 4581675) is N-[6-methoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-naphthalen-1-ylacetamide.
What is the SMILES notation for N-[6-methoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-naphthalen-1-ylacetamide?
The canonical SMILES for N-[6-methoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-naphthalen-1-ylacetamide is COCCn1/c(=N/C(=O)Cc2cccc3ccccc23)sc2cc(OC)ccc21.
What is the InChIKey of N-[6-methoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-naphthalen-1-ylacetamide?
The InChIKey is DGBDUIRFLGLLOA-VHXPQNKSSA-N. The full InChI is InChI=1S/C23H22N2O3S/c1-27-13-12-25-20-11-10-18(28-2)15-21(20)29-23(25)24-22(26)14-17-8-5-7-16-6-3-4-9-19(16)17/h3-11,15H,12-14H2,1-2H3/b24-23-.
What are the key properties of N-[6-methoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-naphthalen-1-ylacetamide?
N-[6-methoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-naphthalen-1-ylacetamide has a molecular weight of 406.51 g/mol, XLogP of 4.18, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-methoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 4581675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).