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

C15H14N2O2S2 — CID 837302

IUPACN-(6-ethoxy-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide
SMILESCCOc1ccc2nc(NC(=O)Cc3cccs3)sc2c1
InChIInChI=1S/C15H14N2O2S2/c1-2-19-10-5-6-12-13(8-10)21-15(16-12)17-14(18)9-11-4-3-7-20-11/h3-8H,2,9H2,1H3,(H,16,17,18)
InChIKeyPGEVKJAAEXCDOF-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.94
Rot. Bonds5

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

N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide (PubChem CID 837302) has the molecular formula C15H14N2O2S2 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-(6-ethoxy-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide
PubChem CID837302
Molecular FormulaC15H14N2O2S2
Molecular Weight318.42 g/mol
Exact Mass318.05
IUPAC NameN-(6-ethoxy-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide
SMILESCCOc1ccc2nc(NC(=O)Cc3cccs3)sc2c1
InChIInChI=1S/C15H14N2O2S2/c1-2-19-10-5-6-12-13(8-10)21-15(16-12)17-14(18)9-11-4-3-7-20-11/h3-8H,2,9H2,1H3,(H,16,17,18)
InChIKeyPGEVKJAAEXCDOF-UHFFFAOYSA-N
XLogP3.94
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.94
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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Related Compounds

2-Amino-6-methoxybenzothiazole
CID 15630
Frentizole
CID 33334
Tioxidazole
CID 72157
Amino-6-ethoxybenzothiazole, 2-
CID 7192
1-(1,3-Benzothiazol-2-yl)-3-(4-methoxyphenyl)urea
CID 950701
N-(6-methoxybenzo[d]thiazol-2-yl)acetamide
CID 2306705
6-Phenoxybenzo[d]thiazol-2-amine
CID 2344996
N-(6-Ethoxy-2-benzothiazolyl)-2-furancarboxamide
CID 739343
1-Cyclohexyl-3-(6-methoxy-1,3-benzothiazol-2-yl)urea
CID 750421
N-(6-ethoxy-1,3-benzothiazol-2-yl)-5-methylfuran-2-carboxamide
CID 844341
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methylbutanamide
CID 3254649
2,2-dibromo-N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-methylcyclopropanecarboxamide
CID 4171316

Frequently Asked Questions

What is the IUPAC name of N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide?
The IUPAC name of N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide (CID 837302) is N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide?
The canonical SMILES for N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide is CCOc1ccc2nc(NC(=O)Cc3cccs3)sc2c1.
What is the InChIKey of N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide?
The InChIKey is PGEVKJAAEXCDOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S2/c1-2-19-10-5-6-12-13(8-10)21-15(16-12)17-14(18)9-11-4-3-7-20-11/h3-8H,2,9H2,1H3,(H,16,17,18).
What are the key properties of N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide?
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide has a molecular weight of 318.42 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 837302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).