N-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-naphthalen-1-ylacetamide

C21H18N2O2S — CID 3343997

IUPACN-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-naphthalen-1-ylacetamide
SMILESCOc1cccc2s/c(=N\C(=O)Cc3cccc4ccccc34)n(C)c12
InChIInChI=1S/C21H18N2O2S/c1-23-20-17(25-2)11-6-12-18(20)26-21(23)22-19(24)13-15-9-5-8-14-7-3-4-10-16(14)15/h3-12H,13H2,1-2H3/b22-21-
InChIKeyFPQAHFQCDAQEOI-DQRAZIAOSA-N
MW362.45 g/mol
LogP4.07
Rot. Bonds3

About N-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-naphthalen-1-ylacetamide

N-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-naphthalen-1-ylacetamide (PubChem CID 3343997) has the molecular formula C21H18N2O2S and a molecular weight of 362.45 g/mol. Its IUPAC name is N-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-naphthalen-1-ylacetamide
PubChem CID3343997
Molecular FormulaC21H18N2O2S
Molecular Weight362.45 g/mol
Exact Mass362.11
IUPAC NameN-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-naphthalen-1-ylacetamide
SMILESCOc1cccc2s/c(=N\C(=O)Cc3cccc4ccccc34)n(C)c12
InChIInChI=1S/C21H18N2O2S/c1-23-20-17(25-2)11-6-12-18(20)26-21(23)22-19(24)13-15-9-5-8-14-7-3-4-10-16(14)15/h3-12H,13H2,1-2H3/b22-21-
InChIKeyFPQAHFQCDAQEOI-DQRAZIAOSA-N
XLogP4.07
TPSA43.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-naphthalen-1-ylacetamide?
The IUPAC name of N-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-naphthalen-1-ylacetamide (CID 3343997) is N-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-naphthalen-1-ylacetamide.
What is the SMILES notation for N-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-naphthalen-1-ylacetamide?
The canonical SMILES for N-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-naphthalen-1-ylacetamide is COc1cccc2s/c(=N\C(=O)Cc3cccc4ccccc34)n(C)c12.
What is the InChIKey of N-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-naphthalen-1-ylacetamide?
The InChIKey is FPQAHFQCDAQEOI-DQRAZIAOSA-N. The full InChI is InChI=1S/C21H18N2O2S/c1-23-20-17(25-2)11-6-12-18(20)26-21(23)22-19(24)13-15-9-5-8-14-7-3-4-10-16(14)15/h3-12H,13H2,1-2H3/b22-21-.
What are the key properties of N-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-naphthalen-1-ylacetamide?
N-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-naphthalen-1-ylacetamide has a molecular weight of 362.45 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 3343997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).