2-(1,3-benzoxazol-2-ylsulfanyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide

C13H12N4O2S2 — CID 695268

IUPAC2-(1,3-benzoxazol-2-ylsulfanyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCc1nnc(NC(=O)CSc2nc3ccccc3o2)s1
InChIInChI=1S/C13H12N4O2S2/c1-2-11-16-17-12(21-11)15-10(18)7-20-13-14-8-5-3-4-6-9(8)19-13/h3-6H,2,7H2,1H3,(H,15,17,18)
InChIKeyLEXONOOKVRCDIW-UHFFFAOYSA-N
MW320.40 g/mol
LogP2.97
Rot. Bonds5

About 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide

2-(1,3-benzoxazol-2-ylsulfanyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 695268) has the molecular formula C13H12N4O2S2 and a molecular weight of 320.40 g/mol. Its IUPAC name is 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(1,3-benzoxazol-2-ylsulfanyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID695268
Molecular FormulaC13H12N4O2S2
Molecular Weight320.40 g/mol
Exact Mass320.04
IUPAC Name2-(1,3-benzoxazol-2-ylsulfanyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCc1nnc(NC(=O)CSc2nc3ccccc3o2)s1
InChIInChI=1S/C13H12N4O2S2/c1-2-11-16-17-12(21-11)15-10(18)7-20-13-14-8-5-3-4-6-9(8)19-13/h3-6H,2,7H2,1H3,(H,15,17,18)
InChIKeyLEXONOOKVRCDIW-UHFFFAOYSA-N
XLogP2.97
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 52.97
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-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide (CID 695268) is 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide is CCc1nnc(NC(=O)CSc2nc3ccccc3o2)s1.
What is the InChIKey of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is LEXONOOKVRCDIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2S2/c1-2-11-16-17-12(21-11)15-10(18)7-20-13-14-8-5-3-4-6-9(8)19-13/h3-6H,2,7H2,1H3,(H,15,17,18).
What are the key properties of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide?
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 320.40 g/mol, XLogP of 2.97, 5 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-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 695268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).