2-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3-thiazole

C5H4N4S2 — CID 18708078

IUPAC2-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3-thiazole
SMILESc1n[nH]c(Sc2nccs2)n1
InChIInChI=1S/C5H4N4S2/c1-2-10-5(6-1)11-4-7-3-8-9-4/h1-3H,(H,7,8,9)
InChIKeyXNPGCGVFMICSIM-UHFFFAOYSA-N
MW184.25 g/mol
LogP1.41
Rot. Bonds2

About 2-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3-thiazole

2-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3-thiazole (PubChem CID 18708078) has the molecular formula C5H4N4S2 and a molecular weight of 184.25 g/mol. Its IUPAC name is 2-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3-thiazole
PubChem CID18708078
Molecular FormulaC5H4N4S2
Molecular Weight184.25 g/mol
Exact Mass183.99
IUPAC Name2-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3-thiazole
SMILESc1n[nH]c(Sc2nccs2)n1
InChIInChI=1S/C5H4N4S2/c1-2-10-5(6-1)11-4-7-3-8-9-4/h1-3H,(H,7,8,9)
InChIKeyXNPGCGVFMICSIM-UHFFFAOYSA-N
XLogP1.41
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.25
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3-thiazole?
The IUPAC name of 2-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3-thiazole (CID 18708078) is 2-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3-thiazole.
What is the SMILES notation for 2-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3-thiazole?
The canonical SMILES for 2-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3-thiazole is c1n[nH]c(Sc2nccs2)n1.
What is the InChIKey of 2-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3-thiazole?
The InChIKey is XNPGCGVFMICSIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N4S2/c1-2-10-5(6-1)11-4-7-3-8-9-4/h1-3H,(H,7,8,9).
What are the key properties of 2-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3-thiazole?
2-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3-thiazole has a molecular weight of 184.25 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3-thiazole is sourced from PubChem (CID 18708078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).