2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-propylacetamide

C14H18N2O2S2 — CID 2568857

IUPAC2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-propylacetamide
SMILESCCCNC(=O)CSc1nc2ccc(OCC)cc2s1
InChIInChI=1S/C14H18N2O2S2/c1-3-7-15-13(17)9-19-14-16-11-6-5-10(18-4-2)8-12(11)20-14/h5-6,8H,3-4,7,9H2,1-2H3,(H,15,17)
InChIKeySRLHAUFEKHKNNW-UHFFFAOYSA-N
MW310.44 g/mol
LogP3.31
Rot. Bonds7

About 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-propylacetamide

2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-propylacetamide (PubChem CID 2568857) has the molecular formula C14H18N2O2S2 and a molecular weight of 310.44 g/mol. Its IUPAC name is 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-propylacetamide.

Molecular Properties

Compound Name2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-propylacetamide
PubChem CID2568857
Molecular FormulaC14H18N2O2S2
Molecular Weight310.44 g/mol
Exact Mass310.08
IUPAC Name2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-propylacetamide
SMILESCCCNC(=O)CSc1nc2ccc(OCC)cc2s1
InChIInChI=1S/C14H18N2O2S2/c1-3-7-15-13(17)9-19-14-16-11-6-5-10(18-4-2)8-12(11)20-14/h5-6,8H,3-4,7,9H2,1-2H3,(H,15,17)
InChIKeySRLHAUFEKHKNNW-UHFFFAOYSA-N
XLogP3.31
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-propylacetamide?
The IUPAC name of 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-propylacetamide (CID 2568857) is 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-propylacetamide.
What is the SMILES notation for 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-propylacetamide?
The canonical SMILES for 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-propylacetamide is CCCNC(=O)CSc1nc2ccc(OCC)cc2s1.
What is the InChIKey of 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-propylacetamide?
The InChIKey is SRLHAUFEKHKNNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S2/c1-3-7-15-13(17)9-19-14-16-11-6-5-10(18-4-2)8-12(11)20-14/h5-6,8H,3-4,7,9H2,1-2H3,(H,15,17).
What are the key properties of 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-propylacetamide?
2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-propylacetamide has a molecular weight of 310.44 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-propylacetamide is sourced from PubChem (CID 2568857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).