2-[(E)-2-(1,3,5-triazin-2-yl)ethenyl]-1,3-thiazole

C8H6N4S — CID 90277910

IUPAC2-[(E)-2-(1,3,5-triazin-2-yl)ethenyl]-1,3-thiazole
SMILESC(=C/c1nccs1)\c1ncncn1
InChIInChI=1S/C8H6N4S/c1(2-8-10-3-4-13-8)7-11-5-9-6-12-7/h1-6H/b2-1+
InChIKeyAEWKOZLTRWGDGR-OWOJBTEDSA-N
MW190.23 g/mol
LogP1.50
Rot. Bonds2

About 2-[(E)-2-(1,3,5-triazin-2-yl)ethenyl]-1,3-thiazole

2-[(E)-2-(1,3,5-triazin-2-yl)ethenyl]-1,3-thiazole (PubChem CID 90277910) has the molecular formula C8H6N4S and a molecular weight of 190.23 g/mol. Its IUPAC name is 2-[(E)-2-(1,3,5-triazin-2-yl)ethenyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[(E)-2-(1,3,5-triazin-2-yl)ethenyl]-1,3-thiazole
PubChem CID90277910
Molecular FormulaC8H6N4S
Molecular Weight190.23 g/mol
Exact Mass190.03
IUPAC Name2-[(E)-2-(1,3,5-triazin-2-yl)ethenyl]-1,3-thiazole
SMILESC(=C/c1nccs1)\c1ncncn1
InChIInChI=1S/C8H6N4S/c1(2-8-10-3-4-13-8)7-11-5-9-6-12-7/h1-6H/b2-1+
InChIKeyAEWKOZLTRWGDGR-OWOJBTEDSA-N
XLogP1.50
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.23
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(1,3,5-triazin-2-yl)ethenyl]-1,3-thiazole?
The IUPAC name of 2-[(E)-2-(1,3,5-triazin-2-yl)ethenyl]-1,3-thiazole (CID 90277910) is 2-[(E)-2-(1,3,5-triazin-2-yl)ethenyl]-1,3-thiazole.
What is the SMILES notation for 2-[(E)-2-(1,3,5-triazin-2-yl)ethenyl]-1,3-thiazole?
The canonical SMILES for 2-[(E)-2-(1,3,5-triazin-2-yl)ethenyl]-1,3-thiazole is C(=C/c1nccs1)\c1ncncn1.
What is the InChIKey of 2-[(E)-2-(1,3,5-triazin-2-yl)ethenyl]-1,3-thiazole?
The InChIKey is AEWKOZLTRWGDGR-OWOJBTEDSA-N. The full InChI is InChI=1S/C8H6N4S/c1(2-8-10-3-4-13-8)7-11-5-9-6-12-7/h1-6H/b2-1+.
What are the key properties of 2-[(E)-2-(1,3,5-triazin-2-yl)ethenyl]-1,3-thiazole?
2-[(E)-2-(1,3,5-triazin-2-yl)ethenyl]-1,3-thiazole has a molecular weight of 190.23 g/mol, XLogP of 1.50, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(1,3,5-triazin-2-yl)ethenyl]-1,3-thiazole is sourced from PubChem (CID 90277910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).