2-(2-oxoquinoxalin-1-yl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide

C17H19N5O2S — CID 8001834

IUPAC2-(2-oxoquinoxalin-1-yl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCC(CC)c1nnc(NC(=O)Cn2c(=O)cnc3ccccc32)s1
InChIInChI=1S/C17H19N5O2S/c1-3-11(4-2)16-20-21-17(25-16)19-14(23)10-22-13-8-6-5-7-12(13)18-9-15(22)24/h5-9,11H,3-4,10H2,1-2H3,(H,19,21,23)
InChIKeyGZRLHNUDYJBOQK-UHFFFAOYSA-N
MW357.44 g/mol
LogP2.79
Rot. Bonds6

About 2-(2-oxoquinoxalin-1-yl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide

2-(2-oxoquinoxalin-1-yl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 8001834) has the molecular formula C17H19N5O2S and a molecular weight of 357.44 g/mol. Its IUPAC name is 2-(2-oxoquinoxalin-1-yl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-oxoquinoxalin-1-yl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID8001834
Molecular FormulaC17H19N5O2S
Molecular Weight357.44 g/mol
Exact Mass357.13
IUPAC Name2-(2-oxoquinoxalin-1-yl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCC(CC)c1nnc(NC(=O)Cn2c(=O)cnc3ccccc32)s1
InChIInChI=1S/C17H19N5O2S/c1-3-11(4-2)16-20-21-17(25-16)19-14(23)10-22-13-8-6-5-7-12(13)18-9-15(22)24/h5-9,11H,3-4,10H2,1-2H3,(H,19,21,23)
InChIKeyGZRLHNUDYJBOQK-UHFFFAOYSA-N
XLogP2.79
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxoquinoxalin-1-yl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(2-oxoquinoxalin-1-yl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide (CID 8001834) is 2-(2-oxoquinoxalin-1-yl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(2-oxoquinoxalin-1-yl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(2-oxoquinoxalin-1-yl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide is CCC(CC)c1nnc(NC(=O)Cn2c(=O)cnc3ccccc32)s1.
What is the InChIKey of 2-(2-oxoquinoxalin-1-yl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is GZRLHNUDYJBOQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2S/c1-3-11(4-2)16-20-21-17(25-16)19-14(23)10-22-13-8-6-5-7-12(13)18-9-15(22)24/h5-9,11H,3-4,10H2,1-2H3,(H,19,21,23).
What are the key properties of 2-(2-oxoquinoxalin-1-yl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide?
2-(2-oxoquinoxalin-1-yl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 357.44 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxoquinoxalin-1-yl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 8001834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).