2-(3-cyano-8-methylquinolin-2-yl)sulfanyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide

C16H13N5O2S — CID 855474

IUPAC2-(3-cyano-8-methylquinolin-2-yl)sulfanyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
SMILESCc1nonc1NC(=O)CSc1nc2c(C)cccc2cc1C#N
InChIInChI=1S/C16H13N5O2S/c1-9-4-3-5-11-6-12(7-17)16(19-14(9)11)24-8-13(22)18-15-10(2)20-23-21-15/h3-6H,8H2,1-2H3,(H,18,21,22)
InChIKeyYDPGMPOHYJUTSZ-UHFFFAOYSA-N
MW339.38 g/mol
LogP2.84
Rot. Bonds4

About 2-(3-cyano-8-methylquinolin-2-yl)sulfanyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide

2-(3-cyano-8-methylquinolin-2-yl)sulfanyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide (PubChem CID 855474) has the molecular formula C16H13N5O2S and a molecular weight of 339.38 g/mol. Its IUPAC name is 2-(3-cyano-8-methylquinolin-2-yl)sulfanyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(3-cyano-8-methylquinolin-2-yl)sulfanyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
PubChem CID855474
Molecular FormulaC16H13N5O2S
Molecular Weight339.38 g/mol
Exact Mass339.08
IUPAC Name2-(3-cyano-8-methylquinolin-2-yl)sulfanyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
SMILESCc1nonc1NC(=O)CSc1nc2c(C)cccc2cc1C#N
InChIInChI=1S/C16H13N5O2S/c1-9-4-3-5-11-6-12(7-17)16(19-14(9)11)24-8-13(22)18-15-10(2)20-23-21-15/h3-6H,8H2,1-2H3,(H,18,21,22)
InChIKeyYDPGMPOHYJUTSZ-UHFFFAOYSA-N
XLogP2.84
TPSA104.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.38
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(3-cyano-8-methylquinolin-2-yl)sulfanyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide with MolForge

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Related Compounds

2-(3-Cyano-quinolin-2-ylsulfanyl)-N-(5-methyl-isoxazol-3-yl)-acetamide
CID 1433850
2-(3-Cyano-6,7-dimethyl-quinolin-2-ylsulfanyl)-N-(4-methyl-furazan-3-yl)-acetamide
CID 24793615
N-(4-amino-1,2,5-oxadiazol-3-yl)-2-[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl]acetamide
CID 4917705
2-(3-Chloro-7,8,9,10-tetrahydro-phenanthridin-6-ylsulfanyl)-N-(4-methyl-furazan-3-yl)-acetamide
CID 650995
2-(2-Cyclohexyl-quinazolin-4-ylsulfanyl)-N-(4-methyl-furazan-3-yl)-acetamide
CID 653427
2-(3-ethyl-8-methylquinolin-2-yl)sulfanyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
CID 857460
2-(3-Cyano-6,8-dimethyl-quinolin-2-ylsulfanyl)-N-(5-methyl-isoxazol-3-yl)-acetamide
CID 3207800
N-(4-Methyl-furazan-3-yl)-2-(3-methyl-7,8,9,10-tetrahydro-phenanthridin-6-ylsulfanyl)-acetamide
CID 644957
2-[(2,3-dimethyl-7,8,9,10-tetrahydrophenanthridin-6-yl)thio]-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
CID 651110
2-(3-Cyano-8-methyl-quinolin-2-ylsulfanyl)-N-(5-methyl-isoxazol-3-yl)-acetamide
CID 855469
2-(3-cyanoquinolin-2-yl)sulfanyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
CID 1433862
2-[2-(2-Cyclopentyl-ethyl)-quinazolin-4-ylsulfanyl]-N-(4-methyl-furazan-3-yl)-acetamide
CID 1451340

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyano-8-methylquinolin-2-yl)sulfanyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide?
The IUPAC name of 2-(3-cyano-8-methylquinolin-2-yl)sulfanyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide (CID 855474) is 2-(3-cyano-8-methylquinolin-2-yl)sulfanyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide.
What is the SMILES notation for 2-(3-cyano-8-methylquinolin-2-yl)sulfanyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide?
The canonical SMILES for 2-(3-cyano-8-methylquinolin-2-yl)sulfanyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide is Cc1nonc1NC(=O)CSc1nc2c(C)cccc2cc1C#N.
What is the InChIKey of 2-(3-cyano-8-methylquinolin-2-yl)sulfanyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide?
The InChIKey is YDPGMPOHYJUTSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O2S/c1-9-4-3-5-11-6-12(7-17)16(19-14(9)11)24-8-13(22)18-15-10(2)20-23-21-15/h3-6H,8H2,1-2H3,(H,18,21,22).
What are the key properties of 2-(3-cyano-8-methylquinolin-2-yl)sulfanyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide?
2-(3-cyano-8-methylquinolin-2-yl)sulfanyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide has a molecular weight of 339.38 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyano-8-methylquinolin-2-yl)sulfanyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide is sourced from PubChem (CID 855474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).