2-(triazin-4-yl)-1,3-thiazole

C6H4N4S — CID 118388022

IUPAC2-(triazin-4-yl)-1,3-thiazole
SMILESc1cc(-c2nccs2)nnn1
InChIInChI=1S/C6H4N4S/c1-2-8-10-9-5(1)6-7-3-4-11-6/h1-4H
InChIKeyYMQUBYRLFNPBBG-UHFFFAOYSA-N
MW164.19 g/mol
LogP1.00
Rot. Bonds1

About 2-(triazin-4-yl)-1,3-thiazole

2-(triazin-4-yl)-1,3-thiazole (PubChem CID 118388022) has the molecular formula C6H4N4S and a molecular weight of 164.19 g/mol. Its IUPAC name is 2-(triazin-4-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-(triazin-4-yl)-1,3-thiazole
PubChem CID118388022
Molecular FormulaC6H4N4S
Molecular Weight164.19 g/mol
Exact Mass164.02
IUPAC Name2-(triazin-4-yl)-1,3-thiazole
SMILESc1cc(-c2nccs2)nnn1
InChIInChI=1S/C6H4N4S/c1-2-8-10-9-5(1)6-7-3-4-11-6/h1-4H
InChIKeyYMQUBYRLFNPBBG-UHFFFAOYSA-N
XLogP1.00
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.19
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(triazin-4-yl)-1,3-thiazole?
The IUPAC name of 2-(triazin-4-yl)-1,3-thiazole (CID 118388022) is 2-(triazin-4-yl)-1,3-thiazole.
What is the SMILES notation for 2-(triazin-4-yl)-1,3-thiazole?
The canonical SMILES for 2-(triazin-4-yl)-1,3-thiazole is c1cc(-c2nccs2)nnn1.
What is the InChIKey of 2-(triazin-4-yl)-1,3-thiazole?
The InChIKey is YMQUBYRLFNPBBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N4S/c1-2-8-10-9-5(1)6-7-3-4-11-6/h1-4H.
What are the key properties of 2-(triazin-4-yl)-1,3-thiazole?
2-(triazin-4-yl)-1,3-thiazole has a molecular weight of 164.19 g/mol, XLogP of 1.00, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(triazin-4-yl)-1,3-thiazole is sourced from PubChem (CID 118388022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).