3-[(5-methyl-3-pyridinyl)sulfanyl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxamide

C17H14N8OS3 — CID 23092617

IUPAC3-[(5-methyl-3-pyridinyl)sulfanyl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxamide
SMILESCc1cncc(Sc2ccc(Sc3ncn[nH]3)nc2C(=O)Nc2nc(C)ns2)c1
InChIInChI=1S/C17H14N8OS3/c1-9-5-11(7-18-6-9)27-12-3-4-13(28-16-19-8-20-24-16)22-14(12)15(26)23-17-21-10(2)25-29-17/h3-8H,1-2H3,(H,19,20,24)(H,21,23,25,26)
InChIKeyICNKGJUTVGKUSX-UHFFFAOYSA-N
MW442.56 g/mol
LogP3.62
Rot. Bonds6

About 3-[(5-methyl-3-pyridinyl)sulfanyl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxamide

3-[(5-methyl-3-pyridinyl)sulfanyl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxamide (PubChem CID 23092617) has the molecular formula C17H14N8OS3 and a molecular weight of 442.56 g/mol. Its IUPAC name is 3-[(5-methyl-3-pyridinyl)sulfanyl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-[(5-methyl-3-pyridinyl)sulfanyl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxamide
PubChem CID23092617
Molecular FormulaC17H14N8OS3
Molecular Weight442.56 g/mol
Exact Mass442.05
IUPAC Name3-[(5-methyl-3-pyridinyl)sulfanyl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxamide
SMILESCc1cncc(Sc2ccc(Sc3ncn[nH]3)nc2C(=O)Nc2nc(C)ns2)c1
InChIInChI=1S/C17H14N8OS3/c1-9-5-11(7-18-6-9)27-12-3-4-13(28-16-19-8-20-24-16)22-14(12)15(26)23-17-21-10(2)25-29-17/h3-8H,1-2H3,(H,19,20,24)(H,21,23,25,26)
InChIKeyICNKGJUTVGKUSX-UHFFFAOYSA-N
XLogP3.62
TPSA122.23 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyl-3-pyridinyl)sulfanyl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxamide?
The IUPAC name of 3-[(5-methyl-3-pyridinyl)sulfanyl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxamide (CID 23092617) is 3-[(5-methyl-3-pyridinyl)sulfanyl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-[(5-methyl-3-pyridinyl)sulfanyl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxamide?
The canonical SMILES for 3-[(5-methyl-3-pyridinyl)sulfanyl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxamide is Cc1cncc(Sc2ccc(Sc3ncn[nH]3)nc2C(=O)Nc2nc(C)ns2)c1.
What is the InChIKey of 3-[(5-methyl-3-pyridinyl)sulfanyl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxamide?
The InChIKey is ICNKGJUTVGKUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N8OS3/c1-9-5-11(7-18-6-9)27-12-3-4-13(28-16-19-8-20-24-16)22-14(12)15(26)23-17-21-10(2)25-29-17/h3-8H,1-2H3,(H,19,20,24)(H,21,23,25,26).
What are the key properties of 3-[(5-methyl-3-pyridinyl)sulfanyl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxamide?
3-[(5-methyl-3-pyridinyl)sulfanyl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxamide has a molecular weight of 442.56 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyl-3-pyridinyl)sulfanyl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxamide is sourced from PubChem (CID 23092617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).