3-methylsulfanyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide

C14H11N3O2S2 — CID 7266923

IUPAC3-methylsulfanyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide
SMILESCSc1cccc(C(=O)Nc2nnc(-c3cccs3)o2)c1
InChIInChI=1S/C14H11N3O2S2/c1-20-10-5-2-4-9(8-10)12(18)15-14-17-16-13(19-14)11-6-3-7-21-11/h2-8H,1H3,(H,15,17,18)
InChIKeyWACQQSHFPOUCQX-UHFFFAOYSA-N
MW317.40 g/mol
LogP3.77
Rot. Bonds4

About 3-methylsulfanyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide

3-methylsulfanyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide (PubChem CID 7266923) has the molecular formula C14H11N3O2S2 and a molecular weight of 317.40 g/mol. Its IUPAC name is 3-methylsulfanyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-methylsulfanyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide
PubChem CID7266923
Molecular FormulaC14H11N3O2S2
Molecular Weight317.40 g/mol
Exact Mass317.03
IUPAC Name3-methylsulfanyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide
SMILESCSc1cccc(C(=O)Nc2nnc(-c3cccs3)o2)c1
InChIInChI=1S/C14H11N3O2S2/c1-20-10-5-2-4-9(8-10)12(18)15-14-17-16-13(19-14)11-6-3-7-21-11/h2-8H,1H3,(H,15,17,18)
InChIKeyWACQQSHFPOUCQX-UHFFFAOYSA-N
XLogP3.77
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide?
The IUPAC name of 3-methylsulfanyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide (CID 7266923) is 3-methylsulfanyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide.
What is the SMILES notation for 3-methylsulfanyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide?
The canonical SMILES for 3-methylsulfanyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide is CSc1cccc(C(=O)Nc2nnc(-c3cccs3)o2)c1.
What is the InChIKey of 3-methylsulfanyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide?
The InChIKey is WACQQSHFPOUCQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2S2/c1-20-10-5-2-4-9(8-10)12(18)15-14-17-16-13(19-14)11-6-3-7-21-11/h2-8H,1H3,(H,15,17,18).
What are the key properties of 3-methylsulfanyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide?
3-methylsulfanyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide has a molecular weight of 317.40 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide is sourced from PubChem (CID 7266923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).