2-naphthalen-1-yl-N-(3,4,7-trimethyl-1,3-benzothiazol-2-ylidene)acetamide

C22H20N2OS — CID 40885394

IUPAC2-naphthalen-1-yl-N-(3,4,7-trimethyl-1,3-benzothiazol-2-ylidene)acetamide
SMILESCc1ccc(C)c2c1s/c(=N\C(=O)Cc1cccc3ccccc13)n2C
InChIInChI=1S/C22H20N2OS/c1-14-11-12-15(2)21-20(14)24(3)22(26-21)23-19(25)13-17-9-6-8-16-7-4-5-10-18(16)17/h4-12H,13H2,1-3H3/b23-22-
InChIKeyDEJBZECTIJPUMU-FCQUAONHSA-N
MW360.48 g/mol
LogP4.68
Rot. Bonds2

About 2-naphthalen-1-yl-N-(3,4,7-trimethyl-1,3-benzothiazol-2-ylidene)acetamide

2-naphthalen-1-yl-N-(3,4,7-trimethyl-1,3-benzothiazol-2-ylidene)acetamide (PubChem CID 40885394) has the molecular formula C22H20N2OS and a molecular weight of 360.48 g/mol. Its IUPAC name is 2-naphthalen-1-yl-N-(3,4,7-trimethyl-1,3-benzothiazol-2-ylidene)acetamide.

Molecular Properties

Compound Name2-naphthalen-1-yl-N-(3,4,7-trimethyl-1,3-benzothiazol-2-ylidene)acetamide
PubChem CID40885394
Molecular FormulaC22H20N2OS
Molecular Weight360.48 g/mol
Exact Mass360.13
IUPAC Name2-naphthalen-1-yl-N-(3,4,7-trimethyl-1,3-benzothiazol-2-ylidene)acetamide
SMILESCc1ccc(C)c2c1s/c(=N\C(=O)Cc1cccc3ccccc13)n2C
InChIInChI=1S/C22H20N2OS/c1-14-11-12-15(2)21-20(14)24(3)22(26-21)23-19(25)13-17-9-6-8-16-7-4-5-10-18(16)17/h4-12H,13H2,1-3H3/b23-22-
InChIKeyDEJBZECTIJPUMU-FCQUAONHSA-N
XLogP4.68
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dimethylphenyl)-N-(3,4,7-trimethyl-1,3-benzothiazol-2-ylidene)acetamide
CID 41019313
N-[3-(2-methoxyethyl)-4-methyl-1,3-benzothiazol-2-ylidene]-2-naphthalen-1-ylacetamide
CID 40888534
2,6-dimethoxy-N-(3,4,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 7152680
N-(7-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-2-(4-methylsulfonylphenyl)acetamide
CID 41126782
2-naphthalen-1-yl-N-(3-prop-2-ynylbenzo[g][1,3]benzothiazol-2-ylidene)acetamide
CID 43946435
N-[4-fluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-naphthalen-1-ylacetamide
CID 4085704
2,5-dimethyl-N-(3,4,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 40885528
2-(4-methoxy-3-methylphenyl)-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)acetamide
CID 16848262
N-(5-chloro-4-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-naphthalen-1-ylacetamide
CID 43946429
N-(6-bromo-3-propyl-1,3-benzothiazol-2-ylidene)-2-naphthalen-1-ylacetamide
CID 43984800
2,5-dichloro-N-(3,4,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 40885241
N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)-2-naphthalen-1-ylacetamide
CID 40951521

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-N-(3,4,7-trimethyl-1,3-benzothiazol-2-ylidene)acetamide?
The IUPAC name of 2-naphthalen-1-yl-N-(3,4,7-trimethyl-1,3-benzothiazol-2-ylidene)acetamide (CID 40885394) is 2-naphthalen-1-yl-N-(3,4,7-trimethyl-1,3-benzothiazol-2-ylidene)acetamide.
What is the SMILES notation for 2-naphthalen-1-yl-N-(3,4,7-trimethyl-1,3-benzothiazol-2-ylidene)acetamide?
The canonical SMILES for 2-naphthalen-1-yl-N-(3,4,7-trimethyl-1,3-benzothiazol-2-ylidene)acetamide is Cc1ccc(C)c2c1s/c(=N\C(=O)Cc1cccc3ccccc13)n2C.
What is the InChIKey of 2-naphthalen-1-yl-N-(3,4,7-trimethyl-1,3-benzothiazol-2-ylidene)acetamide?
The InChIKey is DEJBZECTIJPUMU-FCQUAONHSA-N. The full InChI is InChI=1S/C22H20N2OS/c1-14-11-12-15(2)21-20(14)24(3)22(26-21)23-19(25)13-17-9-6-8-16-7-4-5-10-18(16)17/h4-12H,13H2,1-3H3/b23-22-.
What are the key properties of 2-naphthalen-1-yl-N-(3,4,7-trimethyl-1,3-benzothiazol-2-ylidene)acetamide?
2-naphthalen-1-yl-N-(3,4,7-trimethyl-1,3-benzothiazol-2-ylidene)acetamide has a molecular weight of 360.48 g/mol, XLogP of 4.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yl-N-(3,4,7-trimethyl-1,3-benzothiazol-2-ylidene)acetamide is sourced from PubChem (CID 40885394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).