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

C12H10N4O2S2 — CID 2055026

IUPAC2-(1,3-benzoxazol-2-ylsulfanyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCc1nnc(NC(=O)CSc2nc3ccccc3o2)s1
InChIInChI=1S/C12H10N4O2S2/c1-7-15-16-11(20-7)14-10(17)6-19-12-13-8-4-2-3-5-9(8)18-12/h2-5H,6H2,1H3,(H,14,16,17)
InChIKeyDHJVIMXCOBWIJZ-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.72
Rot. Bonds4

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

2-(1,3-benzoxazol-2-ylsulfanyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 2055026) has the molecular formula C12H10N4O2S2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(1,3-benzoxazol-2-ylsulfanyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID2055026
Molecular FormulaC12H10N4O2S2
Molecular Weight306.37 g/mol
Exact Mass306.02
IUPAC Name2-(1,3-benzoxazol-2-ylsulfanyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCc1nnc(NC(=O)CSc2nc3ccccc3o2)s1
InChIInChI=1S/C12H10N4O2S2/c1-7-15-16-11(20-7)14-10(17)6-19-12-13-8-4-2-3-5-9(8)18-12/h2-5H,6H2,1H3,(H,14,16,17)
InChIKeyDHJVIMXCOBWIJZ-UHFFFAOYSA-N
XLogP2.72
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.72
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-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide (CID 2055026) is 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide is Cc1nnc(NC(=O)CSc2nc3ccccc3o2)s1.
What is the InChIKey of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is DHJVIMXCOBWIJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O2S2/c1-7-15-16-11(20-7)14-10(17)6-19-12-13-8-4-2-3-5-9(8)18-12/h2-5H,6H2,1H3,(H,14,16,17).
What are the key properties of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 306.37 g/mol, XLogP of 2.72, 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-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 2055026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).