2-pyridin-3-yl-5-[6-(1,2,4-triazin-3-yl)-2-pyridinyl]-1,3-thiazole

C16H10N6S — CID 58416082

IUPAC2-pyridin-3-yl-5-[6-(1,2,4-triazin-3-yl)-2-pyridinyl]-1,3-thiazole
SMILESc1cncc(-c2ncc(-c3cccc(-c4nccnn4)n3)s2)c1
InChIInChI=1S/C16H10N6S/c1-4-12(21-13(5-1)15-18-7-8-20-22-15)14-10-19-16(23-14)11-3-2-6-17-9-11/h1-10H
InChIKeyASLOCICSLBZZCQ-UHFFFAOYSA-N
MW318.37 g/mol
LogP3.12
Rot. Bonds3

About 2-pyridin-3-yl-5-[6-(1,2,4-triazin-3-yl)-2-pyridinyl]-1,3-thiazole

2-pyridin-3-yl-5-[6-(1,2,4-triazin-3-yl)-2-pyridinyl]-1,3-thiazole (PubChem CID 58416082) has the molecular formula C16H10N6S and a molecular weight of 318.37 g/mol. Its IUPAC name is 2-pyridin-3-yl-5-[6-(1,2,4-triazin-3-yl)-2-pyridinyl]-1,3-thiazole.

Molecular Properties

Compound Name2-pyridin-3-yl-5-[6-(1,2,4-triazin-3-yl)-2-pyridinyl]-1,3-thiazole
PubChem CID58416082
Molecular FormulaC16H10N6S
Molecular Weight318.37 g/mol
Exact Mass318.07
IUPAC Name2-pyridin-3-yl-5-[6-(1,2,4-triazin-3-yl)-2-pyridinyl]-1,3-thiazole
SMILESc1cncc(-c2ncc(-c3cccc(-c4nccnn4)n3)s2)c1
InChIInChI=1S/C16H10N6S/c1-4-12(21-13(5-1)15-18-7-8-20-22-15)14-10-19-16(23-14)11-3-2-6-17-9-11/h1-10H
InChIKeyASLOCICSLBZZCQ-UHFFFAOYSA-N
XLogP3.12
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-yl-5-[6-(1,2,4-triazin-3-yl)-2-pyridinyl]-1,3-thiazole?
The IUPAC name of 2-pyridin-3-yl-5-[6-(1,2,4-triazin-3-yl)-2-pyridinyl]-1,3-thiazole (CID 58416082) is 2-pyridin-3-yl-5-[6-(1,2,4-triazin-3-yl)-2-pyridinyl]-1,3-thiazole.
What is the SMILES notation for 2-pyridin-3-yl-5-[6-(1,2,4-triazin-3-yl)-2-pyridinyl]-1,3-thiazole?
The canonical SMILES for 2-pyridin-3-yl-5-[6-(1,2,4-triazin-3-yl)-2-pyridinyl]-1,3-thiazole is c1cncc(-c2ncc(-c3cccc(-c4nccnn4)n3)s2)c1.
What is the InChIKey of 2-pyridin-3-yl-5-[6-(1,2,4-triazin-3-yl)-2-pyridinyl]-1,3-thiazole?
The InChIKey is ASLOCICSLBZZCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N6S/c1-4-12(21-13(5-1)15-18-7-8-20-22-15)14-10-19-16(23-14)11-3-2-6-17-9-11/h1-10H.
What are the key properties of 2-pyridin-3-yl-5-[6-(1,2,4-triazin-3-yl)-2-pyridinyl]-1,3-thiazole?
2-pyridin-3-yl-5-[6-(1,2,4-triazin-3-yl)-2-pyridinyl]-1,3-thiazole has a molecular weight of 318.37 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yl-5-[6-(1,2,4-triazin-3-yl)-2-pyridinyl]-1,3-thiazole is sourced from PubChem (CID 58416082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).