1,2-thiazole;triazine

C6H6N4S — CID 159952735

IUPAC1,2-thiazole;triazine
SMILESc1cnnnc1.c1cnsc1
InChIInChI=1S/C3H3N3.C3H3NS/c1-2-4-6-5-3-1;1-2-4-5-3-1/h1-3H;1-3H
InChIKeyOCHXDSPWKRMIEI-UHFFFAOYSA-N
MW166.21 g/mol
LogP1.01
Rot. Bonds

About 1,2-thiazole;triazine

1,2-thiazole;triazine (PubChem CID 159952735) has the molecular formula C6H6N4S and a molecular weight of 166.21 g/mol. Its IUPAC name is 1,2-thiazole;triazine.

Molecular Properties

Compound Name1,2-thiazole;triazine
PubChem CID159952735
Molecular FormulaC6H6N4S
Molecular Weight166.21 g/mol
Exact Mass166.03
IUPAC Name1,2-thiazole;triazine
SMILESc1cnnnc1.c1cnsc1
InChIInChI=1S/C3H3N3.C3H3NS/c1-2-4-6-5-3-1;1-2-4-5-3-1/h1-3H;1-3H
InChIKeyOCHXDSPWKRMIEI-UHFFFAOYSA-N
XLogP1.01
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.21
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,2-thiazole;triazine?
The IUPAC name of 1,2-thiazole;triazine (CID 159952735) is 1,2-thiazole;triazine.
What is the SMILES notation for 1,2-thiazole;triazine?
The canonical SMILES for 1,2-thiazole;triazine is c1cnnnc1.c1cnsc1.
What is the InChIKey of 1,2-thiazole;triazine?
The InChIKey is OCHXDSPWKRMIEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3N3.C3H3NS/c1-2-4-6-5-3-1;1-2-4-5-3-1/h1-3H;1-3H.
What are the key properties of 1,2-thiazole;triazine?
1,2-thiazole;triazine has a molecular weight of 166.21 g/mol, XLogP of 1.01, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-thiazole;triazine is sourced from PubChem (CID 159952735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).