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

C9H12N4S2 — CID 82428073

IUPAC4-ethyl-3-(4-ethyl-1,3-thiazol-5-yl)-1H-1,2,4-triazole-5-thione
SMILESCCc1ncsc1-c1n[nH]c(=S)n1CC
InChIInChI=1S/C9H12N4S2/c1-3-6-7(15-5-10-6)8-11-12-9(14)13(8)4-2/h5H,3-4H2,1-2H3,(H,12,14)
InChIKeySYAYLDYYHNFJID-UHFFFAOYSA-N
MW240.36 g/mol
LogP2.65
Rot. Bonds3

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

4-ethyl-3-(4-ethyl-1,3-thiazol-5-yl)-1H-1,2,4-triazole-5-thione (PubChem CID 82428073) has the molecular formula C9H12N4S2 and a molecular weight of 240.36 g/mol. Its IUPAC name is 4-ethyl-3-(4-ethyl-1,3-thiazol-5-yl)-1H-1,2,4-triazole-5-thione.

Molecular Properties

Compound Name4-ethyl-3-(4-ethyl-1,3-thiazol-5-yl)-1H-1,2,4-triazole-5-thione
PubChem CID82428073
Molecular FormulaC9H12N4S2
Molecular Weight240.36 g/mol
Exact Mass240.05
IUPAC Name4-ethyl-3-(4-ethyl-1,3-thiazol-5-yl)-1H-1,2,4-triazole-5-thione
SMILESCCc1ncsc1-c1n[nH]c(=S)n1CC
InChIInChI=1S/C9H12N4S2/c1-3-6-7(15-5-10-6)8-11-12-9(14)13(8)4-2/h5H,3-4H2,1-2H3,(H,12,14)
InChIKeySYAYLDYYHNFJID-UHFFFAOYSA-N
XLogP2.65
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.36
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-3-(2-methyl-4-propyl-1,3-thiazol-5-yl)-1H-1,2,4-triazole-5-thione
CID 82431238
4-ethyl-3-(5-ethylthiophen-3-yl)-1H-1,2,4-triazole-5-thione
CID 756797
4-ethyl-3-[4-ethyl-2-(furan-2-yl)-1,3-thiazol-5-yl]-1H-1,2,4-triazole-5-thione
CID 82430321
4-ethyl-3-(5-methylthiophen-2-yl)-1H-1,2,4-triazole-5-thione
CID 67070783
5-(4-ethyl-1,3-thiazol-5-yl)-1,2-dihydro-1,2,4-triazole-3-thione
CID 82428071
4-ethyl-3-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-1H-1,2,4-triazole-5-thione
CID 1478768
4-ethyl-3-[3-(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)phenyl]-1H-1,2,4-triazole-5-thione
CID 57386483
4-ethyl-3-(1-methylpyrazol-4-yl)-1H-1,2,4-triazole-5-thione
CID 40585379
4-ethyl-3-[2-(2-methylpropyl)-4-propyl-1,3-thiazol-5-yl]-1H-1,2,4-triazole-5-thione
CID 82432313
4-ethyl-3-(2,3,4,5,6-pentafluorophenyl)-1H-1,2,4-triazole-5-thione
CID 115389543
3-(2-tert-butyl-4-propan-2-yl-1,3-thiazol-5-yl)-4-ethyl-1H-1,2,4-triazole-5-thione
CID 82434645
4-ethyl-3-(5-methyl-1,2-oxazol-3-yl)-1H-1,2,4-triazole-5-thione
CID 842950

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-(4-ethyl-1,3-thiazol-5-yl)-1H-1,2,4-triazole-5-thione?
The IUPAC name of 4-ethyl-3-(4-ethyl-1,3-thiazol-5-yl)-1H-1,2,4-triazole-5-thione (CID 82428073) is 4-ethyl-3-(4-ethyl-1,3-thiazol-5-yl)-1H-1,2,4-triazole-5-thione.
What is the SMILES notation for 4-ethyl-3-(4-ethyl-1,3-thiazol-5-yl)-1H-1,2,4-triazole-5-thione?
The canonical SMILES for 4-ethyl-3-(4-ethyl-1,3-thiazol-5-yl)-1H-1,2,4-triazole-5-thione is CCc1ncsc1-c1n[nH]c(=S)n1CC.
What is the InChIKey of 4-ethyl-3-(4-ethyl-1,3-thiazol-5-yl)-1H-1,2,4-triazole-5-thione?
The InChIKey is SYAYLDYYHNFJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4S2/c1-3-6-7(15-5-10-6)8-11-12-9(14)13(8)4-2/h5H,3-4H2,1-2H3,(H,12,14).
What are the key properties of 4-ethyl-3-(4-ethyl-1,3-thiazol-5-yl)-1H-1,2,4-triazole-5-thione?
4-ethyl-3-(4-ethyl-1,3-thiazol-5-yl)-1H-1,2,4-triazole-5-thione has a molecular weight of 240.36 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-(4-ethyl-1,3-thiazol-5-yl)-1H-1,2,4-triazole-5-thione is sourced from PubChem (CID 82428073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).