2-(1,3-benzothiazol-2-ylsulfanyl)-N-cyclopentylacetamide

C14H16N2OS2 — CID 755801

IUPAC2-(1,3-benzothiazol-2-ylsulfanyl)-N-cyclopentylacetamide
SMILESO=C(CSc1nc2ccccc2s1)NC1CCCC1
InChIInChI=1S/C14H16N2OS2/c17-13(15-10-5-1-2-6-10)9-18-14-16-11-7-3-4-8-12(11)19-14/h3-4,7-8,10H,1-2,5-6,9H2,(H,15,17)
InChIKeyOADYLYORLRNWBL-UHFFFAOYSA-N
MW292.43 g/mol
LogP3.45
Rot. Bonds4

About 2-(1,3-benzothiazol-2-ylsulfanyl)-N-cyclopentylacetamide

2-(1,3-benzothiazol-2-ylsulfanyl)-N-cyclopentylacetamide (PubChem CID 755801) has the molecular formula C14H16N2OS2 and a molecular weight of 292.43 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-ylsulfanyl)-N-cyclopentylacetamide.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-ylsulfanyl)-N-cyclopentylacetamide
PubChem CID755801
Molecular FormulaC14H16N2OS2
Molecular Weight292.43 g/mol
Exact Mass292.07
IUPAC Name2-(1,3-benzothiazol-2-ylsulfanyl)-N-cyclopentylacetamide
SMILESO=C(CSc1nc2ccccc2s1)NC1CCCC1
InChIInChI=1S/C14H16N2OS2/c17-13(15-10-5-1-2-6-10)9-18-14-16-11-7-3-4-8-12(11)19-14/h3-4,7-8,10H,1-2,5-6,9H2,(H,15,17)
InChIKeyOADYLYORLRNWBL-UHFFFAOYSA-N
XLogP3.45
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-cyclopentylacetamide?
The IUPAC name of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-cyclopentylacetamide (CID 755801) is 2-(1,3-benzothiazol-2-ylsulfanyl)-N-cyclopentylacetamide.
What is the SMILES notation for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-cyclopentylacetamide?
The canonical SMILES for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-cyclopentylacetamide is O=C(CSc1nc2ccccc2s1)NC1CCCC1.
What is the InChIKey of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-cyclopentylacetamide?
The InChIKey is OADYLYORLRNWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS2/c17-13(15-10-5-1-2-6-10)9-18-14-16-11-7-3-4-8-12(11)19-14/h3-4,7-8,10H,1-2,5-6,9H2,(H,15,17).
What are the key properties of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-cyclopentylacetamide?
2-(1,3-benzothiazol-2-ylsulfanyl)-N-cyclopentylacetamide has a molecular weight of 292.43 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-cyclopentylacetamide is sourced from PubChem (CID 755801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).