N-(2-methyl-1,3-benzothiazol-6-yl)-2-thiophen-2-ylacetamide

C14H12N2OS2 — CID 2086574

IUPACN-(2-methyl-1,3-benzothiazol-6-yl)-2-thiophen-2-ylacetamide
SMILESCc1nc2ccc(NC(=O)Cc3cccs3)cc2s1
InChIInChI=1S/C14H12N2OS2/c1-9-15-12-5-4-10(7-13(12)19-9)16-14(17)8-11-3-2-6-18-11/h2-7H,8H2,1H3,(H,16,17)
InChIKeyAQTUEXMFJLRPJY-UHFFFAOYSA-N
MW288.40 g/mol
LogP3.85
Rot. Bonds3

About N-(2-methyl-1,3-benzothiazol-6-yl)-2-thiophen-2-ylacetamide

N-(2-methyl-1,3-benzothiazol-6-yl)-2-thiophen-2-ylacetamide (PubChem CID 2086574) has the molecular formula C14H12N2OS2 and a molecular weight of 288.40 g/mol. Its IUPAC name is N-(2-methyl-1,3-benzothiazol-6-yl)-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-(2-methyl-1,3-benzothiazol-6-yl)-2-thiophen-2-ylacetamide
PubChem CID2086574
Molecular FormulaC14H12N2OS2
Molecular Weight288.40 g/mol
Exact Mass288.04
IUPAC NameN-(2-methyl-1,3-benzothiazol-6-yl)-2-thiophen-2-ylacetamide
SMILESCc1nc2ccc(NC(=O)Cc3cccs3)cc2s1
InChIInChI=1S/C14H12N2OS2/c1-9-15-12-5-4-10(7-13(12)19-9)16-14(17)8-11-3-2-6-18-11/h2-7H,8H2,1H3,(H,16,17)
InChIKeyAQTUEXMFJLRPJY-UHFFFAOYSA-N
XLogP3.85
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-methyl-1,3-benzothiazol-6-yl)-2-thiophen-2-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-(2-methyl-1,3-benzothiazol-6-yl)-2-thiophen-2-ylacetamide?
The IUPAC name of N-(2-methyl-1,3-benzothiazol-6-yl)-2-thiophen-2-ylacetamide (CID 2086574) is N-(2-methyl-1,3-benzothiazol-6-yl)-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-(2-methyl-1,3-benzothiazol-6-yl)-2-thiophen-2-ylacetamide?
The canonical SMILES for N-(2-methyl-1,3-benzothiazol-6-yl)-2-thiophen-2-ylacetamide is Cc1nc2ccc(NC(=O)Cc3cccs3)cc2s1.
What is the InChIKey of N-(2-methyl-1,3-benzothiazol-6-yl)-2-thiophen-2-ylacetamide?
The InChIKey is AQTUEXMFJLRPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2OS2/c1-9-15-12-5-4-10(7-13(12)19-9)16-14(17)8-11-3-2-6-18-11/h2-7H,8H2,1H3,(H,16,17).
What are the key properties of N-(2-methyl-1,3-benzothiazol-6-yl)-2-thiophen-2-ylacetamide?
N-(2-methyl-1,3-benzothiazol-6-yl)-2-thiophen-2-ylacetamide has a molecular weight of 288.40 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1,3-benzothiazol-6-yl)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 2086574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).