2-ethylsulfinyl-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]acetamide

C13H20N2O2S2 — CID 119036673

IUPAC2-ethylsulfinyl-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]acetamide
SMILESCCS(=O)CC(=O)NCCc1nc2c(s1)CCCC2
InChIInChI=1S/C13H20N2O2S2/c1-2-19(17)9-12(16)14-8-7-13-15-10-5-3-4-6-11(10)18-13/h2-9H2,1H3,(H,14,16)
InChIKeyDGFXRGSPOKIPBF-UHFFFAOYSA-N
MW300.45 g/mol
LogP1.45
Rot. Bonds6

About 2-ethylsulfinyl-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]acetamide

2-ethylsulfinyl-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]acetamide (PubChem CID 119036673) has the molecular formula C13H20N2O2S2 and a molecular weight of 300.45 g/mol. Its IUPAC name is 2-ethylsulfinyl-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-ethylsulfinyl-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]acetamide
PubChem CID119036673
Molecular FormulaC13H20N2O2S2
Molecular Weight300.45 g/mol
Exact Mass300.10
IUPAC Name2-ethylsulfinyl-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]acetamide
SMILESCCS(=O)CC(=O)NCCc1nc2c(s1)CCCC2
InChIInChI=1S/C13H20N2O2S2/c1-2-19(17)9-12(16)14-8-7-13-15-10-5-3-4-6-11(10)18-13/h2-9H2,1H3,(H,14,16)
InChIKeyDGFXRGSPOKIPBF-UHFFFAOYSA-N
XLogP1.45
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfinyl-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]acetamide?
The IUPAC name of 2-ethylsulfinyl-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]acetamide (CID 119036673) is 2-ethylsulfinyl-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-ethylsulfinyl-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]acetamide?
The canonical SMILES for 2-ethylsulfinyl-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]acetamide is CCS(=O)CC(=O)NCCc1nc2c(s1)CCCC2.
What is the InChIKey of 2-ethylsulfinyl-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]acetamide?
The InChIKey is DGFXRGSPOKIPBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S2/c1-2-19(17)9-12(16)14-8-7-13-15-10-5-3-4-6-11(10)18-13/h2-9H2,1H3,(H,14,16).
What are the key properties of 2-ethylsulfinyl-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]acetamide?
2-ethylsulfinyl-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]acetamide has a molecular weight of 300.45 g/mol, XLogP of 1.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfinyl-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]acetamide is sourced from PubChem (CID 119036673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).