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

C16H12N8OS3 — CID 10365275

IUPAC3-[(6-methyl-3-pyridinyl)sulfanyl]-N-(1,2,4-thiadiazol-5-yl)-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxamide
SMILESCc1ccc(Sc2ccc(Sc3ncn[nH]3)nc2C(=O)Nc2ncns2)cn1
InChIInChI=1S/C16H12N8OS3/c1-9-2-3-10(6-17-9)26-11-4-5-12(27-16-18-7-20-24-16)22-13(11)14(25)23-15-19-8-21-28-15/h2-8H,1H3,(H,18,20,24)(H,19,21,23,25)
InChIKeyJADPOZIPXGRFTI-UHFFFAOYSA-N
MW428.53 g/mol
LogP3.31
Rot. Bonds6

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

3-[(6-methyl-3-pyridinyl)sulfanyl]-N-(1,2,4-thiadiazol-5-yl)-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxamide (PubChem CID 10365275) has the molecular formula C16H12N8OS3 and a molecular weight of 428.53 g/mol. Its IUPAC name is 3-[(6-methyl-3-pyridinyl)sulfanyl]-N-(1,2,4-thiadiazol-5-yl)-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-[(6-methyl-3-pyridinyl)sulfanyl]-N-(1,2,4-thiadiazol-5-yl)-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxamide
PubChem CID10365275
Molecular FormulaC16H12N8OS3
Molecular Weight428.53 g/mol
Exact Mass428.03
IUPAC Name3-[(6-methyl-3-pyridinyl)sulfanyl]-N-(1,2,4-thiadiazol-5-yl)-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxamide
SMILESCc1ccc(Sc2ccc(Sc3ncn[nH]3)nc2C(=O)Nc2ncns2)cn1
InChIInChI=1S/C16H12N8OS3/c1-9-2-3-10(6-17-9)26-11-4-5-12(27-16-18-7-20-24-16)22-13(11)14(25)23-15-19-8-21-28-15/h2-8H,1H3,(H,18,20,24)(H,19,21,23,25)
InChIKeyJADPOZIPXGRFTI-UHFFFAOYSA-N
XLogP3.31
TPSA122.23 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.53
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 3-[(6-methyl-3-pyridinyl)sulfanyl]-N-(1,2,4-thiadiazol-5-yl)-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxamide?
The IUPAC name of 3-[(6-methyl-3-pyridinyl)sulfanyl]-N-(1,2,4-thiadiazol-5-yl)-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxamide (CID 10365275) is 3-[(6-methyl-3-pyridinyl)sulfanyl]-N-(1,2,4-thiadiazol-5-yl)-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-[(6-methyl-3-pyridinyl)sulfanyl]-N-(1,2,4-thiadiazol-5-yl)-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxamide?
The canonical SMILES for 3-[(6-methyl-3-pyridinyl)sulfanyl]-N-(1,2,4-thiadiazol-5-yl)-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxamide is Cc1ccc(Sc2ccc(Sc3ncn[nH]3)nc2C(=O)Nc2ncns2)cn1.
What is the InChIKey of 3-[(6-methyl-3-pyridinyl)sulfanyl]-N-(1,2,4-thiadiazol-5-yl)-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxamide?
The InChIKey is JADPOZIPXGRFTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N8OS3/c1-9-2-3-10(6-17-9)26-11-4-5-12(27-16-18-7-20-24-16)22-13(11)14(25)23-15-19-8-21-28-15/h2-8H,1H3,(H,18,20,24)(H,19,21,23,25).
What are the key properties of 3-[(6-methyl-3-pyridinyl)sulfanyl]-N-(1,2,4-thiadiazol-5-yl)-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxamide?
3-[(6-methyl-3-pyridinyl)sulfanyl]-N-(1,2,4-thiadiazol-5-yl)-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxamide has a molecular weight of 428.53 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-methyl-3-pyridinyl)sulfanyl]-N-(1,2,4-thiadiazol-5-yl)-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxamide is sourced from PubChem (CID 10365275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).