N-(3-methyl-1,3-benzothiazol-2-ylidene)-2-naphthalen-2-ylacetamide

C20H16N2OS — CID 16849298

IUPACN-(3-methyl-1,3-benzothiazol-2-ylidene)-2-naphthalen-2-ylacetamide
SMILESCn1/c(=N/C(=O)Cc2ccc3ccccc3c2)sc2ccccc21
InChIInChI=1S/C20H16N2OS/c1-22-17-8-4-5-9-18(17)24-20(22)21-19(23)13-14-10-11-15-6-2-3-7-16(15)12-14/h2-12H,13H2,1H3/b21-20-
InChIKeyVAKJRMJIAUKHMR-MRCUWXFGSA-N
MW332.43 g/mol
LogP4.06
Rot. Bonds2

About N-(3-methyl-1,3-benzothiazol-2-ylidene)-2-naphthalen-2-ylacetamide

N-(3-methyl-1,3-benzothiazol-2-ylidene)-2-naphthalen-2-ylacetamide (PubChem CID 16849298) has the molecular formula C20H16N2OS and a molecular weight of 332.43 g/mol. Its IUPAC name is N-(3-methyl-1,3-benzothiazol-2-ylidene)-2-naphthalen-2-ylacetamide.

Molecular Properties

Compound NameN-(3-methyl-1,3-benzothiazol-2-ylidene)-2-naphthalen-2-ylacetamide
PubChem CID16849298
Molecular FormulaC20H16N2OS
Molecular Weight332.43 g/mol
Exact Mass332.10
IUPAC NameN-(3-methyl-1,3-benzothiazol-2-ylidene)-2-naphthalen-2-ylacetamide
SMILESCn1/c(=N/C(=O)Cc2ccc3ccccc3c2)sc2ccccc21
InChIInChI=1S/C20H16N2OS/c1-22-17-8-4-5-9-18(17)24-20(22)21-19(23)13-14-10-11-15-6-2-3-7-16(15)12-14/h2-12H,13H2,1H3/b21-20-
InChIKeyVAKJRMJIAUKHMR-MRCUWXFGSA-N
XLogP4.06
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dimethylphenyl)-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide
CID 7942632
2-(4-methoxy-3-methylphenyl)-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide
CID 16848042
N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-2-phenylacetamide
CID 40694545
N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-2-(3-methoxyphenyl)acetamide
CID 16912533
2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide
CID 4857459
2-(benzenesulfonyl)-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide
CID 18573226
N-(3-methyl-1,3-benzothiazol-2-ylidene)-2-(2-oxochromen-7-yl)oxyacetamide
CID 46562426
2-(4-methoxy-3-methylphenyl)-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)acetamide
CID 16848262
N-(5,6-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-phenylacetamide
CID 40509023
2-(3,4-dimethoxyphenyl)-N-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]acetamide
CID 16912805
2-(1,2-benzoxazol-3-yl)-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide
CID 8927463
2-(3,4-dimethylphenyl)-N-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]acetamide
CID 7928815

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1,3-benzothiazol-2-ylidene)-2-naphthalen-2-ylacetamide?
The IUPAC name of N-(3-methyl-1,3-benzothiazol-2-ylidene)-2-naphthalen-2-ylacetamide (CID 16849298) is N-(3-methyl-1,3-benzothiazol-2-ylidene)-2-naphthalen-2-ylacetamide.
What is the SMILES notation for N-(3-methyl-1,3-benzothiazol-2-ylidene)-2-naphthalen-2-ylacetamide?
The canonical SMILES for N-(3-methyl-1,3-benzothiazol-2-ylidene)-2-naphthalen-2-ylacetamide is Cn1/c(=N/C(=O)Cc2ccc3ccccc3c2)sc2ccccc21.
What is the InChIKey of N-(3-methyl-1,3-benzothiazol-2-ylidene)-2-naphthalen-2-ylacetamide?
The InChIKey is VAKJRMJIAUKHMR-MRCUWXFGSA-N. The full InChI is InChI=1S/C20H16N2OS/c1-22-17-8-4-5-9-18(17)24-20(22)21-19(23)13-14-10-11-15-6-2-3-7-16(15)12-14/h2-12H,13H2,1H3/b21-20-.
What are the key properties of N-(3-methyl-1,3-benzothiazol-2-ylidene)-2-naphthalen-2-ylacetamide?
N-(3-methyl-1,3-benzothiazol-2-ylidene)-2-naphthalen-2-ylacetamide has a molecular weight of 332.43 g/mol, XLogP of 4.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1,3-benzothiazol-2-ylidene)-2-naphthalen-2-ylacetamide is sourced from PubChem (CID 16849298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).