2-(3-cyanoquinolin-2-yl)sulfanyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide

C15H11N5O2S — CID 1433862

IUPAC2-(3-cyanoquinolin-2-yl)sulfanyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
SMILESCc1nonc1NC(=O)CSc1nc2ccccc2cc1C#N
InChIInChI=1S/C15H11N5O2S/c1-9-14(20-22-19-9)18-13(21)8-23-15-11(7-16)6-10-4-2-3-5-12(10)17-15/h2-6H,8H2,1H3,(H,18,20,21)
InChIKeyCITIEHAUKMRRBO-UHFFFAOYSA-N
MW325.35 g/mol
LogP2.53
Rot. Bonds4

About 2-(3-cyanoquinolin-2-yl)sulfanyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide

2-(3-cyanoquinolin-2-yl)sulfanyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide (PubChem CID 1433862) has the molecular formula C15H11N5O2S and a molecular weight of 325.35 g/mol. Its IUPAC name is 2-(3-cyanoquinolin-2-yl)sulfanyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(3-cyanoquinolin-2-yl)sulfanyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
PubChem CID1433862
Molecular FormulaC15H11N5O2S
Molecular Weight325.35 g/mol
Exact Mass325.06
IUPAC Name2-(3-cyanoquinolin-2-yl)sulfanyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
SMILESCc1nonc1NC(=O)CSc1nc2ccccc2cc1C#N
InChIInChI=1S/C15H11N5O2S/c1-9-14(20-22-19-9)18-13(21)8-23-15-11(7-16)6-10-4-2-3-5-12(10)17-15/h2-6H,8H2,1H3,(H,18,20,21)
InChIKeyCITIEHAUKMRRBO-UHFFFAOYSA-N
XLogP2.53
TPSA104.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.35
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(3-cyanoquinolin-2-yl)sulfanyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide?
The IUPAC name of 2-(3-cyanoquinolin-2-yl)sulfanyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide (CID 1433862) is 2-(3-cyanoquinolin-2-yl)sulfanyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide.
What is the SMILES notation for 2-(3-cyanoquinolin-2-yl)sulfanyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide?
The canonical SMILES for 2-(3-cyanoquinolin-2-yl)sulfanyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide is Cc1nonc1NC(=O)CSc1nc2ccccc2cc1C#N.
What is the InChIKey of 2-(3-cyanoquinolin-2-yl)sulfanyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide?
The InChIKey is CITIEHAUKMRRBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5O2S/c1-9-14(20-22-19-9)18-13(21)8-23-15-11(7-16)6-10-4-2-3-5-12(10)17-15/h2-6H,8H2,1H3,(H,18,20,21).
What are the key properties of 2-(3-cyanoquinolin-2-yl)sulfanyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide?
2-(3-cyanoquinolin-2-yl)sulfanyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide has a molecular weight of 325.35 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyanoquinolin-2-yl)sulfanyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide is sourced from PubChem (CID 1433862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).