3-(1,3,5-triazin-2-yl)-1,2-thiazole

C6H4N4S — CID 170336665

IUPAC3-(1,3,5-triazin-2-yl)-1,2-thiazole
SMILESc1ncnc(-c2ccsn2)n1
InChIInChI=1S/C6H4N4S/c1-2-11-10-5(1)6-8-3-7-4-9-6/h1-4H
InChIKeyFXHHZJBKAXRQTC-UHFFFAOYSA-N
MW164.19 g/mol
LogP1.00
Rot. Bonds1

About 3-(1,3,5-triazin-2-yl)-1,2-thiazole

3-(1,3,5-triazin-2-yl)-1,2-thiazole (PubChem CID 170336665) has the molecular formula C6H4N4S and a molecular weight of 164.19 g/mol. Its IUPAC name is 3-(1,3,5-triazin-2-yl)-1,2-thiazole.

Molecular Properties

Compound Name3-(1,3,5-triazin-2-yl)-1,2-thiazole
PubChem CID170336665
Molecular FormulaC6H4N4S
Molecular Weight164.19 g/mol
Exact Mass164.02
IUPAC Name3-(1,3,5-triazin-2-yl)-1,2-thiazole
SMILESc1ncnc(-c2ccsn2)n1
InChIInChI=1S/C6H4N4S/c1-2-11-10-5(1)6-8-3-7-4-9-6/h1-4H
InChIKeyFXHHZJBKAXRQTC-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 3-(1,3,5-triazin-2-yl)-1,2-thiazole?
The IUPAC name of 3-(1,3,5-triazin-2-yl)-1,2-thiazole (CID 170336665) is 3-(1,3,5-triazin-2-yl)-1,2-thiazole.
What is the SMILES notation for 3-(1,3,5-triazin-2-yl)-1,2-thiazole?
The canonical SMILES for 3-(1,3,5-triazin-2-yl)-1,2-thiazole is c1ncnc(-c2ccsn2)n1.
What is the InChIKey of 3-(1,3,5-triazin-2-yl)-1,2-thiazole?
The InChIKey is FXHHZJBKAXRQTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N4S/c1-2-11-10-5(1)6-8-3-7-4-9-6/h1-4H.
What are the key properties of 3-(1,3,5-triazin-2-yl)-1,2-thiazole?
3-(1,3,5-triazin-2-yl)-1,2-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 3-(1,3,5-triazin-2-yl)-1,2-thiazole is sourced from PubChem (CID 170336665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).