N-(1,3-benzothiazol-2-yl)-2-pyridin-2-ylsulfanylacetamide

C14H11N3OS2 — CID 828855

IUPACN-(1,3-benzothiazol-2-yl)-2-pyridin-2-ylsulfanylacetamide
SMILESO=C(CSc1ccccn1)Nc1nc2ccccc2s1
InChIInChI=1S/C14H11N3OS2/c18-12(9-19-13-7-3-4-8-15-13)17-14-16-10-5-1-2-6-11(10)20-14/h1-8H,9H2,(H,16,17,18)
InChIKeyKNUMHXUXAKPWLY-UHFFFAOYSA-N
MW301.40 g/mol
LogP3.42
Rot. Bonds4

About N-(1,3-benzothiazol-2-yl)-2-pyridin-2-ylsulfanylacetamide

N-(1,3-benzothiazol-2-yl)-2-pyridin-2-ylsulfanylacetamide (PubChem CID 828855) has the molecular formula C14H11N3OS2 and a molecular weight of 301.40 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-2-pyridin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-2-pyridin-2-ylsulfanylacetamide
PubChem CID828855
Molecular FormulaC14H11N3OS2
Molecular Weight301.40 g/mol
Exact Mass301.03
IUPAC NameN-(1,3-benzothiazol-2-yl)-2-pyridin-2-ylsulfanylacetamide
SMILESO=C(CSc1ccccn1)Nc1nc2ccccc2s1
InChIInChI=1S/C14H11N3OS2/c18-12(9-19-13-7-3-4-8-15-13)17-14-16-10-5-1-2-6-11(10)20-14/h1-8H,9H2,(H,16,17,18)
InChIKeyKNUMHXUXAKPWLY-UHFFFAOYSA-N
XLogP3.42
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.40
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-2-pyridin-2-ylsulfanylacetamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-2-pyridin-2-ylsulfanylacetamide (CID 828855) is N-(1,3-benzothiazol-2-yl)-2-pyridin-2-ylsulfanylacetamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-2-pyridin-2-ylsulfanylacetamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-2-pyridin-2-ylsulfanylacetamide is O=C(CSc1ccccn1)Nc1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-2-pyridin-2-ylsulfanylacetamide?
The InChIKey is KNUMHXUXAKPWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3OS2/c18-12(9-19-13-7-3-4-8-15-13)17-14-16-10-5-1-2-6-11(10)20-14/h1-8H,9H2,(H,16,17,18).
What are the key properties of N-(1,3-benzothiazol-2-yl)-2-pyridin-2-ylsulfanylacetamide?
N-(1,3-benzothiazol-2-yl)-2-pyridin-2-ylsulfanylacetamide has a molecular weight of 301.40 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-2-pyridin-2-ylsulfanylacetamide is sourced from PubChem (CID 828855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).