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

C5H8N4S — CID 139216615

IUPAC2-(1H-1,2,4-triazol-5-yl)-1,3-thiazolidine
SMILESc1n[nH]c(C2NCCS2)n1
InChIInChI=1S/C5H8N4S/c1-2-10-5(6-1)4-7-3-8-9-4/h3,5-6H,1-2H2,(H,7,8,9)
InChIKeyBELMKNVFHONMMG-UHFFFAOYSA-N
MW156.21 g/mol
LogP0.14
Rot. Bonds1

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

2-(1H-1,2,4-triazol-5-yl)-1,3-thiazolidine (PubChem CID 139216615) has the molecular formula C5H8N4S and a molecular weight of 156.21 g/mol. Its IUPAC name is 2-(1H-1,2,4-triazol-5-yl)-1,3-thiazolidine.

Molecular Properties

Compound Name2-(1H-1,2,4-triazol-5-yl)-1,3-thiazolidine
PubChem CID139216615
Molecular FormulaC5H8N4S
Molecular Weight156.21 g/mol
Exact Mass156.05
IUPAC Name2-(1H-1,2,4-triazol-5-yl)-1,3-thiazolidine
SMILESc1n[nH]c(C2NCCS2)n1
InChIInChI=1S/C5H8N4S/c1-2-10-5(6-1)4-7-3-8-9-4/h3,5-6H,1-2H2,(H,7,8,9)
InChIKeyBELMKNVFHONMMG-UHFFFAOYSA-N
XLogP0.14
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.21
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-1,2,4-triazol-5-yl)-1,3-thiazolidine?
The IUPAC name of 2-(1H-1,2,4-triazol-5-yl)-1,3-thiazolidine (CID 139216615) is 2-(1H-1,2,4-triazol-5-yl)-1,3-thiazolidine.
What is the SMILES notation for 2-(1H-1,2,4-triazol-5-yl)-1,3-thiazolidine?
The canonical SMILES for 2-(1H-1,2,4-triazol-5-yl)-1,3-thiazolidine is c1n[nH]c(C2NCCS2)n1.
What is the InChIKey of 2-(1H-1,2,4-triazol-5-yl)-1,3-thiazolidine?
The InChIKey is BELMKNVFHONMMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4S/c1-2-10-5(6-1)4-7-3-8-9-4/h3,5-6H,1-2H2,(H,7,8,9).
What are the key properties of 2-(1H-1,2,4-triazol-5-yl)-1,3-thiazolidine?
2-(1H-1,2,4-triazol-5-yl)-1,3-thiazolidine has a molecular weight of 156.21 g/mol, XLogP of 0.14, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-1,2,4-triazol-5-yl)-1,3-thiazolidine is sourced from PubChem (CID 139216615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).