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

C14H12N2O2S2 — CID 2082407

IUPACN-(6-methoxy-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide
SMILESCOc1ccc2nc(NC(=O)Cc3cccs3)sc2c1
InChIInChI=1S/C14H12N2O2S2/c1-18-9-4-5-11-12(7-9)20-14(15-11)16-13(17)8-10-3-2-6-19-10/h2-7H,8H2,1H3,(H,15,16,17)
InChIKeyILFYFBFIOFFNPK-UHFFFAOYSA-N
MW304.40 g/mol
LogP3.55
Rot. Bonds4

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

N-(6-methoxy-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide (PubChem CID 2082407) has the molecular formula C14H12N2O2S2 and a molecular weight of 304.40 g/mol. Its IUPAC name is N-(6-methoxy-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-(6-methoxy-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide
PubChem CID2082407
Molecular FormulaC14H12N2O2S2
Molecular Weight304.40 g/mol
Exact Mass304.03
IUPAC NameN-(6-methoxy-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide
SMILESCOc1ccc2nc(NC(=O)Cc3cccs3)sc2c1
InChIInChI=1S/C14H12N2O2S2/c1-18-9-4-5-11-12(7-9)20-14(15-11)16-13(17)8-10-3-2-6-19-10/h2-7H,8H2,1H3,(H,15,16,17)
InChIKeyILFYFBFIOFFNPK-UHFFFAOYSA-N
XLogP3.55
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_E(2)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide?
The IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide (CID 2082407) is N-(6-methoxy-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-(6-methoxy-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide?
The canonical SMILES for N-(6-methoxy-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide is COc1ccc2nc(NC(=O)Cc3cccs3)sc2c1.
What is the InChIKey of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide?
The InChIKey is ILFYFBFIOFFNPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2S2/c1-18-9-4-5-11-12(7-9)20-14(15-11)16-13(17)8-10-3-2-6-19-10/h2-7H,8H2,1H3,(H,15,16,17).
What are the key properties of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide?
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide has a molecular weight of 304.40 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 2082407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).