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

C17H16N2O2S2 — CID 963375

IUPACN-(6-ethoxy-1,3-benzothiazol-2-yl)-2-phenylsulfanylacetamide
SMILESCCOc1ccc2nc(NC(=O)CSc3ccccc3)sc2c1
InChIInChI=1S/C17H16N2O2S2/c1-2-21-12-8-9-14-15(10-12)23-17(18-14)19-16(20)11-22-13-6-4-3-5-7-13/h3-10H,2,11H2,1H3,(H,18,19,20)
InChIKeyHTEACBRWSCGDSF-UHFFFAOYSA-N
MW344.46 g/mol
LogP4.43
Rot. Bonds6

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

N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-phenylsulfanylacetamide (PubChem CID 963375) has the molecular formula C17H16N2O2S2 and a molecular weight of 344.46 g/mol. Its IUPAC name is N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-(6-ethoxy-1,3-benzothiazol-2-yl)-2-phenylsulfanylacetamide
PubChem CID963375
Molecular FormulaC17H16N2O2S2
Molecular Weight344.46 g/mol
Exact Mass344.07
IUPAC NameN-(6-ethoxy-1,3-benzothiazol-2-yl)-2-phenylsulfanylacetamide
SMILESCCOc1ccc2nc(NC(=O)CSc3ccccc3)sc2c1
InChIInChI=1S/C17H16N2O2S2/c1-2-21-12-8-9-14-15(10-12)23-17(18-14)19-16(20)11-22-13-6-4-3-5-7-13/h3-10H,2,11H2,1H3,(H,18,19,20)
InChIKeyHTEACBRWSCGDSF-UHFFFAOYSA-N
XLogP4.43
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-phenylsulfanylacetamide?
The IUPAC name of N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-phenylsulfanylacetamide (CID 963375) is N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-phenylsulfanylacetamide.
What is the SMILES notation for N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-phenylsulfanylacetamide?
The canonical SMILES for N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-phenylsulfanylacetamide is CCOc1ccc2nc(NC(=O)CSc3ccccc3)sc2c1.
What is the InChIKey of N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-phenylsulfanylacetamide?
The InChIKey is HTEACBRWSCGDSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S2/c1-2-21-12-8-9-14-15(10-12)23-17(18-14)19-16(20)11-22-13-6-4-3-5-7-13/h3-10H,2,11H2,1H3,(H,18,19,20).
What are the key properties of N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-phenylsulfanylacetamide?
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-phenylsulfanylacetamide has a molecular weight of 344.46 g/mol, XLogP of 4.43, 6 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-phenylsulfanylacetamide is sourced from PubChem (CID 963375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).