3-(2-fluorophenyl)sulfanyl-N-(1,3-thiazol-2-yl)-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxamide

C17H11FN6OS3 — CID 10432843

IUPAC3-(2-fluorophenyl)sulfanyl-N-(1,3-thiazol-2-yl)-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxamide
SMILESO=C(Nc1nccs1)c1nc(Sc2ncn[nH]2)ccc1Sc1ccccc1F
InChIInChI=1S/C17H11FN6OS3/c18-10-3-1-2-4-11(10)27-12-5-6-13(28-17-20-9-21-24-17)22-14(12)15(25)23-16-19-7-8-26-16/h1-9H,(H,19,23,25)(H,20,21,24)
InChIKeyGYLICSQTNIJEAV-UHFFFAOYSA-N
MW430.52 g/mol
LogP4.35
Rot. Bonds6

About 3-(2-fluorophenyl)sulfanyl-N-(1,3-thiazol-2-yl)-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxamide

3-(2-fluorophenyl)sulfanyl-N-(1,3-thiazol-2-yl)-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxamide (PubChem CID 10432843) has the molecular formula C17H11FN6OS3 and a molecular weight of 430.52 g/mol. Its IUPAC name is 3-(2-fluorophenyl)sulfanyl-N-(1,3-thiazol-2-yl)-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-(2-fluorophenyl)sulfanyl-N-(1,3-thiazol-2-yl)-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxamide
PubChem CID10432843
Molecular FormulaC17H11FN6OS3
Molecular Weight430.52 g/mol
Exact Mass430.01
IUPAC Name3-(2-fluorophenyl)sulfanyl-N-(1,3-thiazol-2-yl)-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxamide
SMILESO=C(Nc1nccs1)c1nc(Sc2ncn[nH]2)ccc1Sc1ccccc1F
InChIInChI=1S/C17H11FN6OS3/c18-10-3-1-2-4-11(10)27-12-5-6-13(28-17-20-9-21-24-17)22-14(12)15(25)23-16-19-7-8-26-16/h1-9H,(H,19,23,25)(H,20,21,24)
InChIKeyGYLICSQTNIJEAV-UHFFFAOYSA-N
XLogP4.35
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.52
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)sulfanyl-N-(1,3-thiazol-2-yl)-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxamide?
The IUPAC name of 3-(2-fluorophenyl)sulfanyl-N-(1,3-thiazol-2-yl)-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxamide (CID 10432843) is 3-(2-fluorophenyl)sulfanyl-N-(1,3-thiazol-2-yl)-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-(2-fluorophenyl)sulfanyl-N-(1,3-thiazol-2-yl)-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxamide?
The canonical SMILES for 3-(2-fluorophenyl)sulfanyl-N-(1,3-thiazol-2-yl)-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxamide is O=C(Nc1nccs1)c1nc(Sc2ncn[nH]2)ccc1Sc1ccccc1F.
What is the InChIKey of 3-(2-fluorophenyl)sulfanyl-N-(1,3-thiazol-2-yl)-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxamide?
The InChIKey is GYLICSQTNIJEAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11FN6OS3/c18-10-3-1-2-4-11(10)27-12-5-6-13(28-17-20-9-21-24-17)22-14(12)15(25)23-16-19-7-8-26-16/h1-9H,(H,19,23,25)(H,20,21,24).
What are the key properties of 3-(2-fluorophenyl)sulfanyl-N-(1,3-thiazol-2-yl)-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxamide?
3-(2-fluorophenyl)sulfanyl-N-(1,3-thiazol-2-yl)-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxamide has a molecular weight of 430.52 g/mol, XLogP of 4.35, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)sulfanyl-N-(1,3-thiazol-2-yl)-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxamide is sourced from PubChem (CID 10432843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).