2-(1,3-thiazol-2-yl)-1H-1,2,4-triazol-5-one

C5H4N4OS — CID 82880731

IUPAC2-(1,3-thiazol-2-yl)-1H-1,2,4-triazol-5-one
SMILESO=c1ncn(-c2nccs2)[nH]1
InChIInChI=1S/C5H4N4OS/c10-4-7-3-9(8-4)5-6-1-2-11-5/h1-3H,(H,8,10)
InChIKeyGFVDEYXJLYBPNY-UHFFFAOYSA-N
MW168.18 g/mol
LogP0.02
Rot. Bonds1

About 2-(1,3-thiazol-2-yl)-1H-1,2,4-triazol-5-one

2-(1,3-thiazol-2-yl)-1H-1,2,4-triazol-5-one (PubChem CID 82880731) has the molecular formula C5H4N4OS and a molecular weight of 168.18 g/mol. Its IUPAC name is 2-(1,3-thiazol-2-yl)-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name2-(1,3-thiazol-2-yl)-1H-1,2,4-triazol-5-one
PubChem CID82880731
Molecular FormulaC5H4N4OS
Molecular Weight168.18 g/mol
Exact Mass168.01
IUPAC Name2-(1,3-thiazol-2-yl)-1H-1,2,4-triazol-5-one
SMILESO=c1ncn(-c2nccs2)[nH]1
InChIInChI=1S/C5H4N4OS/c10-4-7-3-9(8-4)5-6-1-2-11-5/h1-3H,(H,8,10)
InChIKeyGFVDEYXJLYBPNY-UHFFFAOYSA-N
XLogP0.02
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.18
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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1-(1,3-thiazol-2-yl)pyrazolidin-3-one
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2-(1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1H-indazol-3-one
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4,10-bis(1,3-thiazol-2-yl)-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-3,5,9,11-tetrone
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2-(3-methyl-1,2,4-triazol-1-yl)-1,3-thiazole
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5-methyl-2-(1,3-thiazol-2-yl)-4H-pyrazol-3-one
CID 130157569
4-methyl-1-(1,3-thiazol-2-yl)pyridin-2-one
CID 175371107
(1R,2R,6R,7R)-4-(1,3-thiazol-2-yl)-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione
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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-thiazol-2-yl)-1H-1,2,4-triazol-5-one?
The IUPAC name of 2-(1,3-thiazol-2-yl)-1H-1,2,4-triazol-5-one (CID 82880731) is 2-(1,3-thiazol-2-yl)-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 2-(1,3-thiazol-2-yl)-1H-1,2,4-triazol-5-one?
The canonical SMILES for 2-(1,3-thiazol-2-yl)-1H-1,2,4-triazol-5-one is O=c1ncn(-c2nccs2)[nH]1.
What is the InChIKey of 2-(1,3-thiazol-2-yl)-1H-1,2,4-triazol-5-one?
The InChIKey is GFVDEYXJLYBPNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N4OS/c10-4-7-3-9(8-4)5-6-1-2-11-5/h1-3H,(H,8,10).
What are the key properties of 2-(1,3-thiazol-2-yl)-1H-1,2,4-triazol-5-one?
2-(1,3-thiazol-2-yl)-1H-1,2,4-triazol-5-one has a molecular weight of 168.18 g/mol, XLogP of 0.02, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-thiazol-2-yl)-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 82880731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).