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

C23H18N2O2S — CID 4112516

IUPACN-(6-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-naphthalen-1-ylacetamide
SMILESC#CCn1/c(=N/C(=O)Cc2cccc3ccccc23)sc2cc(OC)ccc21
InChIInChI=1S/C23H18N2O2S/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/h1,4-12,15H,13-14H2,2H3/b24-23-
InChIKeyJASZUHBZEBWYDL-VHXPQNKSSA-N
MW386.48 g/mol
LogP4.17
Rot. Bonds4

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

N-(6-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-naphthalen-1-ylacetamide (PubChem CID 4112516) has the molecular formula C23H18N2O2S and a molecular weight of 386.48 g/mol. Its IUPAC name is N-(6-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-(6-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-naphthalen-1-ylacetamide
PubChem CID4112516
Molecular FormulaC23H18N2O2S
Molecular Weight386.48 g/mol
Exact Mass386.11
IUPAC NameN-(6-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-naphthalen-1-ylacetamide
SMILESC#CCn1/c(=N/C(=O)Cc2cccc3ccccc23)sc2cc(OC)ccc21
InChIInChI=1S/C23H18N2O2S/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/h1,4-12,15H,13-14H2,2H3/b24-23-
InChIKeyJASZUHBZEBWYDL-VHXPQNKSSA-N
XLogP4.17
TPSA43.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(6-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-naphthalen-1-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-naphthalen-1-ylacetamide?
The IUPAC name of N-(6-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-naphthalen-1-ylacetamide (CID 4112516) is N-(6-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-naphthalen-1-ylacetamide.
What is the SMILES notation for N-(6-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-naphthalen-1-ylacetamide?
The canonical SMILES for N-(6-methoxy-3-prop-2-ynyl-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-ynyl-1,3-benzothiazol-2-ylidene)-2-naphthalen-1-ylacetamide?
The InChIKey is JASZUHBZEBWYDL-VHXPQNKSSA-N. The full InChI is InChI=1S/C23H18N2O2S/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/h1,4-12,15H,13-14H2,2H3/b24-23-.
What are the key properties of N-(6-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-naphthalen-1-ylacetamide?
N-(6-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-naphthalen-1-ylacetamide has a molecular weight of 386.48 g/mol, XLogP of 4.17, 4 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-ynyl-1,3-benzothiazol-2-ylidene)-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 4112516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).