2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide

C15H14N4O2S2 — CID 891615

IUPAC2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1cnc(NC(=O)CSc2nnc(Cc3ccccc3)o2)s1
InChIInChI=1S/C15H14N4O2S2/c1-10-8-16-14(23-10)17-12(20)9-22-15-19-18-13(21-15)7-11-5-3-2-4-6-11/h2-6,8H,7,9H2,1H3,(H,16,17,20)
InChIKeyITUMWNDRDFLGQS-UHFFFAOYSA-N
MW346.44 g/mol
LogP3.16
Rot. Bonds6

About 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide

2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 891615) has the molecular formula C15H14N4O2S2 and a molecular weight of 346.44 g/mol. Its IUPAC name is 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID891615
Molecular FormulaC15H14N4O2S2
Molecular Weight346.44 g/mol
Exact Mass346.06
IUPAC Name2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1cnc(NC(=O)CSc2nnc(Cc3ccccc3)o2)s1
InChIInChI=1S/C15H14N4O2S2/c1-10-8-16-14(23-10)17-12(20)9-22-15-19-18-13(21-15)7-11-5-3-2-4-6-11/h2-6,8H,7,9H2,1H3,(H,16,17,20)
InChIKeyITUMWNDRDFLGQS-UHFFFAOYSA-N
XLogP3.16
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide (CID 891615) is 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide is Cc1cnc(NC(=O)CSc2nnc(Cc3ccccc3)o2)s1.
What is the InChIKey of 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is ITUMWNDRDFLGQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2S2/c1-10-8-16-14(23-10)17-12(20)9-22-15-19-18-13(21-15)7-11-5-3-2-4-6-11/h2-6,8H,7,9H2,1H3,(H,16,17,20).
What are the key properties of 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 346.44 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 891615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).