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

C13H10N4O2S2 — CID 20930009

IUPAC2-[(3-phenyl-1,2,4-oxadiazol-5-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CSc1nc(-c2ccccc2)no1)Nc1nccs1
InChIInChI=1S/C13H10N4O2S2/c18-10(15-12-14-6-7-20-12)8-21-13-16-11(17-19-13)9-4-2-1-3-5-9/h1-7H,8H2,(H,14,15,18)
InChIKeyRVXAOKMVCCETIB-UHFFFAOYSA-N
MW318.38 g/mol
LogP2.92
Rot. Bonds5

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

2-[(3-phenyl-1,2,4-oxadiazol-5-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 20930009) has the molecular formula C13H10N4O2S2 and a molecular weight of 318.38 g/mol. Its IUPAC name is 2-[(3-phenyl-1,2,4-oxadiazol-5-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[(3-phenyl-1,2,4-oxadiazol-5-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID20930009
Molecular FormulaC13H10N4O2S2
Molecular Weight318.38 g/mol
Exact Mass318.02
IUPAC Name2-[(3-phenyl-1,2,4-oxadiazol-5-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CSc1nc(-c2ccccc2)no1)Nc1nccs1
InChIInChI=1S/C13H10N4O2S2/c18-10(15-12-14-6-7-20-12)8-21-13-16-11(17-19-13)9-4-2-1-3-5-9/h1-7H,8H2,(H,14,15,18)
InChIKeyRVXAOKMVCCETIB-UHFFFAOYSA-N
XLogP2.92
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-phenyl-1,2,4-oxadiazol-5-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[(3-phenyl-1,2,4-oxadiazol-5-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide (CID 20930009) is 2-[(3-phenyl-1,2,4-oxadiazol-5-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[(3-phenyl-1,2,4-oxadiazol-5-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[(3-phenyl-1,2,4-oxadiazol-5-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide is O=C(CSc1nc(-c2ccccc2)no1)Nc1nccs1.
What is the InChIKey of 2-[(3-phenyl-1,2,4-oxadiazol-5-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is RVXAOKMVCCETIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O2S2/c18-10(15-12-14-6-7-20-12)8-21-13-16-11(17-19-13)9-4-2-1-3-5-9/h1-7H,8H2,(H,14,15,18).
What are the key properties of 2-[(3-phenyl-1,2,4-oxadiazol-5-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
2-[(3-phenyl-1,2,4-oxadiazol-5-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 318.38 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-phenyl-1,2,4-oxadiazol-5-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 20930009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).