N-[5-(4-methoxyphenyl)-1,2,4-thiadiazol-3-yl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide

C17H14N6O2S2 — CID 984840

IUPACN-[5-(4-methoxyphenyl)-1,2,4-thiadiazol-3-yl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
SMILESCOc1ccc(-c2nc(NC(=O)CSc3nnc4ccccn34)ns2)cc1
InChIInChI=1S/C17H14N6O2S2/c1-25-12-7-5-11(6-8-12)15-19-16(22-27-15)18-14(24)10-26-17-21-20-13-4-2-3-9-23(13)17/h2-9H,10H2,1H3,(H,18,22,24)
InChIKeyXUDWOHGJDRHKLK-UHFFFAOYSA-N
MW398.47 g/mol
LogP2.99
Rot. Bonds6

About N-[5-(4-methoxyphenyl)-1,2,4-thiadiazol-3-yl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide

N-[5-(4-methoxyphenyl)-1,2,4-thiadiazol-3-yl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide (PubChem CID 984840) has the molecular formula C17H14N6O2S2 and a molecular weight of 398.47 g/mol. Its IUPAC name is N-[5-(4-methoxyphenyl)-1,2,4-thiadiazol-3-yl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-[5-(4-methoxyphenyl)-1,2,4-thiadiazol-3-yl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
PubChem CID984840
Molecular FormulaC17H14N6O2S2
Molecular Weight398.47 g/mol
Exact Mass398.06
IUPAC NameN-[5-(4-methoxyphenyl)-1,2,4-thiadiazol-3-yl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
SMILESCOc1ccc(-c2nc(NC(=O)CSc3nnc4ccccn34)ns2)cc1
InChIInChI=1S/C17H14N6O2S2/c1-25-12-7-5-11(6-8-12)15-19-16(22-27-15)18-14(24)10-26-17-21-20-13-4-2-3-9-23(13)17/h2-9H,10H2,1H3,(H,18,22,24)
InChIKeyXUDWOHGJDRHKLK-UHFFFAOYSA-N
XLogP2.99
TPSA94.30 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-methoxyphenyl)-1,2,4-thiadiazol-3-yl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide?
The IUPAC name of N-[5-(4-methoxyphenyl)-1,2,4-thiadiazol-3-yl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide (CID 984840) is N-[5-(4-methoxyphenyl)-1,2,4-thiadiazol-3-yl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide.
What is the SMILES notation for N-[5-(4-methoxyphenyl)-1,2,4-thiadiazol-3-yl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide?
The canonical SMILES for N-[5-(4-methoxyphenyl)-1,2,4-thiadiazol-3-yl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide is COc1ccc(-c2nc(NC(=O)CSc3nnc4ccccn34)ns2)cc1.
What is the InChIKey of N-[5-(4-methoxyphenyl)-1,2,4-thiadiazol-3-yl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide?
The InChIKey is XUDWOHGJDRHKLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6O2S2/c1-25-12-7-5-11(6-8-12)15-19-16(22-27-15)18-14(24)10-26-17-21-20-13-4-2-3-9-23(13)17/h2-9H,10H2,1H3,(H,18,22,24).
What are the key properties of N-[5-(4-methoxyphenyl)-1,2,4-thiadiazol-3-yl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide?
N-[5-(4-methoxyphenyl)-1,2,4-thiadiazol-3-yl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide has a molecular weight of 398.47 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-methoxyphenyl)-1,2,4-thiadiazol-3-yl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide is sourced from PubChem (CID 984840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).