2-(1,3-benzoxazol-2-ylsulfanyl)-N-(1,3,4-thiadiazol-2-yl)acetamide

C11H8N4O2S2 — CID 788010

IUPAC2-(1,3-benzoxazol-2-ylsulfanyl)-N-(1,3,4-thiadiazol-2-yl)acetamide
SMILESO=C(CSc1nc2ccccc2o1)Nc1nncs1
InChIInChI=1S/C11H8N4O2S2/c16-9(14-10-15-12-6-19-10)5-18-11-13-7-3-1-2-4-8(7)17-11/h1-4,6H,5H2,(H,14,15,16)
InChIKeyXYKMSSFEAXNFHL-UHFFFAOYSA-N
MW292.35 g/mol
LogP2.41
Rot. Bonds4

About 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(1,3,4-thiadiazol-2-yl)acetamide

2-(1,3-benzoxazol-2-ylsulfanyl)-N-(1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 788010) has the molecular formula C11H8N4O2S2 and a molecular weight of 292.35 g/mol. Its IUPAC name is 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(1,3-benzoxazol-2-ylsulfanyl)-N-(1,3,4-thiadiazol-2-yl)acetamide
PubChem CID788010
Molecular FormulaC11H8N4O2S2
Molecular Weight292.35 g/mol
Exact Mass292.01
IUPAC Name2-(1,3-benzoxazol-2-ylsulfanyl)-N-(1,3,4-thiadiazol-2-yl)acetamide
SMILESO=C(CSc1nc2ccccc2o1)Nc1nncs1
InChIInChI=1S/C11H8N4O2S2/c16-9(14-10-15-12-6-19-10)5-18-11-13-7-3-1-2-4-8(7)17-11/h1-4,6H,5H2,(H,14,15,16)
InChIKeyXYKMSSFEAXNFHL-UHFFFAOYSA-N
XLogP2.41
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(1,3,4-thiadiazol-2-yl)acetamide (CID 788010) is 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(1,3,4-thiadiazol-2-yl)acetamide is O=C(CSc1nc2ccccc2o1)Nc1nncs1.
What is the InChIKey of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is XYKMSSFEAXNFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4O2S2/c16-9(14-10-15-12-6-19-10)5-18-11-13-7-3-1-2-4-8(7)17-11/h1-4,6H,5H2,(H,14,15,16).
What are the key properties of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(1,3,4-thiadiazol-2-yl)acetamide?
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 292.35 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 788010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).