N-(6-methoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2-naphthalen-1-ylacetamide

C23H20N2O2S — CID 3438719

IUPACN-(6-methoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2-naphthalen-1-ylacetamide
SMILESC=CCn1/c(=N/C(=O)Cc2cccc3ccccc23)sc2cc(OC)ccc21
InChIInChI=1S/C23H20N2O2S/c1-3-13-25-20-12-11-18(27-2)15-21(20)28-23(25)24-22(26)14-17-9-6-8-16-7-4-5-10-19(16)17/h3-12,15H,1,13-14H2,2H3/b24-23-
InChIKeyXJRQGLAHDAAFSQ-VHXPQNKSSA-N
MW388.49 g/mol
LogP4.72
Rot. Bonds5

About N-(6-methoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2-naphthalen-1-ylacetamide

N-(6-methoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2-naphthalen-1-ylacetamide (PubChem CID 3438719) has the molecular formula C23H20N2O2S and a molecular weight of 388.49 g/mol. Its IUPAC name is N-(6-methoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-(6-methoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2-naphthalen-1-ylacetamide
PubChem CID3438719
Molecular FormulaC23H20N2O2S
Molecular Weight388.49 g/mol
Exact Mass388.12
IUPAC NameN-(6-methoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2-naphthalen-1-ylacetamide
SMILESC=CCn1/c(=N/C(=O)Cc2cccc3ccccc23)sc2cc(OC)ccc21
InChIInChI=1S/C23H20N2O2S/c1-3-13-25-20-12-11-18(27-2)15-21(20)28-23(25)24-22(26)14-17-9-6-8-16-7-4-5-10-19(16)17/h3-12,15H,1,13-14H2,2H3/b24-23-
InChIKeyXJRQGLAHDAAFSQ-VHXPQNKSSA-N
XLogP4.72
TPSA43.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(6-methoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)benzamide
CID 3380936
2-(2,4-dimethoxyphenyl)-N-(6-methyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)acetamide
CID 16912676
2-bromo-N-(6-methoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)benzamide
CID 3689396
N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)-2-naphthalen-1-ylacetamide
CID 40951521
N-(5,6-dimethoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2-(3-methoxyphenoxy)acetamide
CID 43979566
N-[6-chloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-naphthalen-1-ylacetamide
CID 3597232
N-(6-methoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2-nitrobenzamide
CID 3459558
2-(4-methoxyphenoxy)-N-(6-nitro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)acetamide
CID 43943061
N-(6-ethoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzamide
CID 3351669
4-tert-butyl-N-(6-methoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)benzamide
CID 5206212
N-(6-ethoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-3-methoxynaphthalene-2-carboxamide
CID 4121901
(NZ)-N-(6-methoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide
CID 16937064

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2-naphthalen-1-ylacetamide?
The IUPAC name of N-(6-methoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2-naphthalen-1-ylacetamide (CID 3438719) is N-(6-methoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2-naphthalen-1-ylacetamide.
What is the SMILES notation for N-(6-methoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2-naphthalen-1-ylacetamide?
The canonical SMILES for N-(6-methoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2-naphthalen-1-ylacetamide is C=CCn1/c(=N/C(=O)Cc2cccc3ccccc23)sc2cc(OC)ccc21.
What is the InChIKey of N-(6-methoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2-naphthalen-1-ylacetamide?
The InChIKey is XJRQGLAHDAAFSQ-VHXPQNKSSA-N. The full InChI is InChI=1S/C23H20N2O2S/c1-3-13-25-20-12-11-18(27-2)15-21(20)28-23(25)24-22(26)14-17-9-6-8-16-7-4-5-10-19(16)17/h3-12,15H,1,13-14H2,2H3/b24-23-.
What are the key properties of N-(6-methoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2-naphthalen-1-ylacetamide?
N-(6-methoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2-naphthalen-1-ylacetamide has a molecular weight of 388.49 g/mol, XLogP of 4.72, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 3438719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).