2-naphthalen-1-yl-N-(3-prop-2-ynylbenzo[g][1,3]benzothiazol-2-ylidene)acetamide

C26H18N2OS — CID 43946435

IUPAC2-naphthalen-1-yl-N-(3-prop-2-ynylbenzo[g][1,3]benzothiazol-2-ylidene)acetamide
SMILESC#CCn1/c(=N/C(=O)Cc2cccc3ccccc23)sc2c3ccccc3ccc21
InChIInChI=1S/C26H18N2OS/c1-2-16-28-23-15-14-19-9-4-6-13-22(19)25(23)30-26(28)27-24(29)17-20-11-7-10-18-8-3-5-12-21(18)20/h1,3-15H,16-17H2/b27-26-
InChIKeyJZJDFWQBQJCAHU-RQZHXJHFSA-N
MW406.51 g/mol
LogP5.31
Rot. Bonds3

About 2-naphthalen-1-yl-N-(3-prop-2-ynylbenzo[g][1,3]benzothiazol-2-ylidene)acetamide

2-naphthalen-1-yl-N-(3-prop-2-ynylbenzo[g][1,3]benzothiazol-2-ylidene)acetamide (PubChem CID 43946435) has the molecular formula C26H18N2OS and a molecular weight of 406.51 g/mol. Its IUPAC name is 2-naphthalen-1-yl-N-(3-prop-2-ynylbenzo[g][1,3]benzothiazol-2-ylidene)acetamide.

Molecular Properties

Compound Name2-naphthalen-1-yl-N-(3-prop-2-ynylbenzo[g][1,3]benzothiazol-2-ylidene)acetamide
PubChem CID43946435
Molecular FormulaC26H18N2OS
Molecular Weight406.51 g/mol
Exact Mass406.11
IUPAC Name2-naphthalen-1-yl-N-(3-prop-2-ynylbenzo[g][1,3]benzothiazol-2-ylidene)acetamide
SMILESC#CCn1/c(=N/C(=O)Cc2cccc3ccccc23)sc2c3ccccc3ccc21
InChIInChI=1S/C26H18N2OS/c1-2-16-28-23-15-14-19-9-4-6-13-22(19)25(23)30-26(28)27-24(29)17-20-11-7-10-18-8-3-5-12-21(18)20/h1,3-15H,16-17H2/b27-26-
InChIKeyJZJDFWQBQJCAHU-RQZHXJHFSA-N
XLogP5.31
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.51
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-(6-fluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-naphthalen-1-ylacetamide
CID 4247564
N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-naphthalen-1-ylacetamide
CID 4526142
ethyl 2-(2-naphthalen-1-ylacetyl)imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate
CID 3400502
N-(5-chloro-4-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-naphthalen-1-ylacetamide
CID 43946429
(E)-N-(3-prop-2-ynylbenzo[g][1,3]benzothiazol-2-ylidene)-3-thiophen-2-ylprop-2-enamide
CID 40885938
3,4,5-trimethoxy-N-(3-prop-2-ynylbenzo[g][1,3]benzothiazol-2-ylidene)benzamide
CID 2151306
4-oxo-N-(3-prop-2-ynylbenzo[g][1,3]benzothiazol-2-ylidene)chromene-2-carboxamide
CID 40885929
3-pentoxy-N-(3-prop-2-ynylbenzo[g][1,3]benzothiazol-2-ylidene)benzamide
CID 43946306
2-naphthalen-1-yl-N-(3,4,7-trimethyl-1,3-benzothiazol-2-ylidene)acetamide
CID 40885394
2-[2-oxo-2-[(3-prop-2-enylbenzo[g][1,3]benzothiazol-2-ylidene)amino]ethoxy]-N-(3-prop-2-enylbenzo[g][1,3]benzothiazol-2-ylidene)acetamide
CID 43944742
N-(3-ethylbenzo[g][1,3]benzothiazol-2-ylidene)-2,2-dimethylpropanamide
CID 5105360
N-(6-bromo-3-propyl-1,3-benzothiazol-2-ylidene)-2-naphthalen-1-ylacetamide
CID 43984800

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-N-(3-prop-2-ynylbenzo[g][1,3]benzothiazol-2-ylidene)acetamide?
The IUPAC name of 2-naphthalen-1-yl-N-(3-prop-2-ynylbenzo[g][1,3]benzothiazol-2-ylidene)acetamide (CID 43946435) is 2-naphthalen-1-yl-N-(3-prop-2-ynylbenzo[g][1,3]benzothiazol-2-ylidene)acetamide.
What is the SMILES notation for 2-naphthalen-1-yl-N-(3-prop-2-ynylbenzo[g][1,3]benzothiazol-2-ylidene)acetamide?
The canonical SMILES for 2-naphthalen-1-yl-N-(3-prop-2-ynylbenzo[g][1,3]benzothiazol-2-ylidene)acetamide is C#CCn1/c(=N/C(=O)Cc2cccc3ccccc23)sc2c3ccccc3ccc21.
What is the InChIKey of 2-naphthalen-1-yl-N-(3-prop-2-ynylbenzo[g][1,3]benzothiazol-2-ylidene)acetamide?
The InChIKey is JZJDFWQBQJCAHU-RQZHXJHFSA-N. The full InChI is InChI=1S/C26H18N2OS/c1-2-16-28-23-15-14-19-9-4-6-13-22(19)25(23)30-26(28)27-24(29)17-20-11-7-10-18-8-3-5-12-21(18)20/h1,3-15H,16-17H2/b27-26-.
What are the key properties of 2-naphthalen-1-yl-N-(3-prop-2-ynylbenzo[g][1,3]benzothiazol-2-ylidene)acetamide?
2-naphthalen-1-yl-N-(3-prop-2-ynylbenzo[g][1,3]benzothiazol-2-ylidene)acetamide has a molecular weight of 406.51 g/mol, XLogP of 5.31, 3 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-prop-2-ynylbenzo[g][1,3]benzothiazol-2-ylidene)acetamide is sourced from PubChem (CID 43946435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).