N-(1,3-benzothiazol-2-yl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)acetamide

C15H10N4O2S2 — CID 22587555

IUPACN-(1,3-benzothiazol-2-yl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)acetamide
SMILESO=C(CSc1nc2ncccc2o1)Nc1nc2ccccc2s1
InChIInChI=1S/C15H10N4O2S2/c20-12(18-14-17-9-4-1-2-6-11(9)23-14)8-22-15-19-13-10(21-15)5-3-7-16-13/h1-7H,8H2,(H,17,18,20)
InChIKeyTXJHIJZQTAEQSS-UHFFFAOYSA-N
MW342.41 g/mol
LogP3.56
Rot. Bonds4

About N-(1,3-benzothiazol-2-yl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)acetamide

N-(1,3-benzothiazol-2-yl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)acetamide (PubChem CID 22587555) has the molecular formula C15H10N4O2S2 and a molecular weight of 342.41 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)acetamide
PubChem CID22587555
Molecular FormulaC15H10N4O2S2
Molecular Weight342.41 g/mol
Exact Mass342.02
IUPAC NameN-(1,3-benzothiazol-2-yl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)acetamide
SMILESO=C(CSc1nc2ncccc2o1)Nc1nc2ccccc2s1
InChIInChI=1S/C15H10N4O2S2/c20-12(18-14-17-9-4-1-2-6-11(9)23-14)8-22-15-19-13-10(21-15)5-3-7-16-13/h1-7H,8H2,(H,17,18,20)
InChIKeyTXJHIJZQTAEQSS-UHFFFAOYSA-N
XLogP3.56
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)acetamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)acetamide (CID 22587555) is N-(1,3-benzothiazol-2-yl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)acetamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)acetamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)acetamide is O=C(CSc1nc2ncccc2o1)Nc1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)acetamide?
The InChIKey is TXJHIJZQTAEQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4O2S2/c20-12(18-14-17-9-4-1-2-6-11(9)23-14)8-22-15-19-13-10(21-15)5-3-7-16-13/h1-7H,8H2,(H,17,18,20).
What are the key properties of N-(1,3-benzothiazol-2-yl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)acetamide?
N-(1,3-benzothiazol-2-yl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)acetamide has a molecular weight of 342.41 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)acetamide is sourced from PubChem (CID 22587555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).