5-(4-ethyl-1,3-thiazol-5-yl)-1,2-dihydro-1,2,4-triazole-3-thione

C7H8N4S2 — CID 82428071

IUPAC5-(4-ethyl-1,3-thiazol-5-yl)-1,2-dihydro-1,2,4-triazole-3-thione
SMILESCCc1ncsc1-c1nc(=S)[nH][nH]1
InChIInChI=1S/C7H8N4S2/c1-2-4-5(13-3-8-4)6-9-7(12)11-10-6/h3H,2H2,1H3,(H2,9,10,11,12)
InChIKeySTTIDHOGTIVOLL-UHFFFAOYSA-N
MW212.30 g/mol
LogP2.15
Rot. Bonds2

About 5-(4-ethyl-1,3-thiazol-5-yl)-1,2-dihydro-1,2,4-triazole-3-thione

5-(4-ethyl-1,3-thiazol-5-yl)-1,2-dihydro-1,2,4-triazole-3-thione (PubChem CID 82428071) has the molecular formula C7H8N4S2 and a molecular weight of 212.30 g/mol. Its IUPAC name is 5-(4-ethyl-1,3-thiazol-5-yl)-1,2-dihydro-1,2,4-triazole-3-thione.

Molecular Properties

Compound Name5-(4-ethyl-1,3-thiazol-5-yl)-1,2-dihydro-1,2,4-triazole-3-thione
PubChem CID82428071
Molecular FormulaC7H8N4S2
Molecular Weight212.30 g/mol
Exact Mass212.02
IUPAC Name5-(4-ethyl-1,3-thiazol-5-yl)-1,2-dihydro-1,2,4-triazole-3-thione
SMILESCCc1ncsc1-c1nc(=S)[nH][nH]1
InChIInChI=1S/C7H8N4S2/c1-2-4-5(13-3-8-4)6-9-7(12)11-10-6/h3H,2H2,1H3,(H2,9,10,11,12)
InChIKeySTTIDHOGTIVOLL-UHFFFAOYSA-N
XLogP2.15
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(4-ethyl-1,3-thiazol-5-yl)-1,2-dihydro-1,2,4-triazole-3-thione?
The IUPAC name of 5-(4-ethyl-1,3-thiazol-5-yl)-1,2-dihydro-1,2,4-triazole-3-thione (CID 82428071) is 5-(4-ethyl-1,3-thiazol-5-yl)-1,2-dihydro-1,2,4-triazole-3-thione.
What is the SMILES notation for 5-(4-ethyl-1,3-thiazol-5-yl)-1,2-dihydro-1,2,4-triazole-3-thione?
The canonical SMILES for 5-(4-ethyl-1,3-thiazol-5-yl)-1,2-dihydro-1,2,4-triazole-3-thione is CCc1ncsc1-c1nc(=S)[nH][nH]1.
What is the InChIKey of 5-(4-ethyl-1,3-thiazol-5-yl)-1,2-dihydro-1,2,4-triazole-3-thione?
The InChIKey is STTIDHOGTIVOLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4S2/c1-2-4-5(13-3-8-4)6-9-7(12)11-10-6/h3H,2H2,1H3,(H2,9,10,11,12).
What are the key properties of 5-(4-ethyl-1,3-thiazol-5-yl)-1,2-dihydro-1,2,4-triazole-3-thione?
5-(4-ethyl-1,3-thiazol-5-yl)-1,2-dihydro-1,2,4-triazole-3-thione has a molecular weight of 212.30 g/mol, XLogP of 2.15, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethyl-1,3-thiazol-5-yl)-1,2-dihydro-1,2,4-triazole-3-thione is sourced from PubChem (CID 82428071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).