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

C13H14N4OS2 — CID 82430321

IUPAC4-ethyl-3-[4-ethyl-2-(furan-2-yl)-1,3-thiazol-5-yl]-1H-1,2,4-triazole-5-thione
SMILESCCc1nc(-c2ccco2)sc1-c1n[nH]c(=S)n1CC
InChIInChI=1S/C13H14N4OS2/c1-3-8-10(11-15-16-13(19)17(11)4-2)20-12(14-8)9-6-5-7-18-9/h5-7H,3-4H2,1-2H3,(H,16,19)
InChIKeyLMEYXAINKRGSEZ-UHFFFAOYSA-N
MW306.42 g/mol
LogP3.91
Rot. Bonds4

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

4-ethyl-3-[4-ethyl-2-(furan-2-yl)-1,3-thiazol-5-yl]-1H-1,2,4-triazole-5-thione (PubChem CID 82430321) has the molecular formula C13H14N4OS2 and a molecular weight of 306.42 g/mol. Its IUPAC name is 4-ethyl-3-[4-ethyl-2-(furan-2-yl)-1,3-thiazol-5-yl]-1H-1,2,4-triazole-5-thione.

Molecular Properties

Compound Name4-ethyl-3-[4-ethyl-2-(furan-2-yl)-1,3-thiazol-5-yl]-1H-1,2,4-triazole-5-thione
PubChem CID82430321
Molecular FormulaC13H14N4OS2
Molecular Weight306.42 g/mol
Exact Mass306.06
IUPAC Name4-ethyl-3-[4-ethyl-2-(furan-2-yl)-1,3-thiazol-5-yl]-1H-1,2,4-triazole-5-thione
SMILESCCc1nc(-c2ccco2)sc1-c1n[nH]c(=S)n1CC
InChIInChI=1S/C13H14N4OS2/c1-3-8-10(11-15-16-13(19)17(11)4-2)20-12(14-8)9-6-5-7-18-9/h5-7H,3-4H2,1-2H3,(H,16,19)
InChIKeyLMEYXAINKRGSEZ-UHFFFAOYSA-N
XLogP3.91
TPSA59.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.42
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-ethyl-3-[4-ethyl-2-(furan-2-yl)-1,3-thiazol-5-yl]-1H-1,2,4-triazole-5-thione with MolForge

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Related Compounds

4-ethyl-3-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-1H-1,2,4-triazole-5-thione
CID 1478768
4-ethyl-3-(4-ethyl-1,3-thiazol-5-yl)-1H-1,2,4-triazole-5-thione
CID 82428073
3-(4-ethyl-2-thiophen-2-yl-1,3-thiazol-5-yl)-4-methyl-1H-1,2,4-triazole-5-thione
CID 82430286
4-ethyl-3-(2-methyl-4-propyl-1,3-thiazol-5-yl)-1H-1,2,4-triazole-5-thione
CID 82431238
3-(furan-2-yl)-4-(2-methylpropyl)-1H-1,2,4-triazole-5-thione
CID 843761
4-ethyl-3-(5-methylthiophen-2-yl)-1H-1,2,4-triazole-5-thione
CID 67070783
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
N-[[4-ethyl-2-(furan-2-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 113459709
4-ethyl-3-(5-ethylthiophen-3-yl)-1H-1,2,4-triazole-5-thione
CID 756797
4-ethyl-3-[2-(2-methylpropyl)-4-propyl-1,3-thiazol-5-yl]-1H-1,2,4-triazole-5-thione
CID 82432313
5-bromo-2-(furan-2-yl)-4-methyl-1,3-thiazole
CID 82130320
1-[2-(furan-2-yl)-5-phenyl-1,3-thiazol-4-yl]-N-methylmethanamine
CID 64718148

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-[4-ethyl-2-(furan-2-yl)-1,3-thiazol-5-yl]-1H-1,2,4-triazole-5-thione?
The IUPAC name of 4-ethyl-3-[4-ethyl-2-(furan-2-yl)-1,3-thiazol-5-yl]-1H-1,2,4-triazole-5-thione (CID 82430321) is 4-ethyl-3-[4-ethyl-2-(furan-2-yl)-1,3-thiazol-5-yl]-1H-1,2,4-triazole-5-thione.
What is the SMILES notation for 4-ethyl-3-[4-ethyl-2-(furan-2-yl)-1,3-thiazol-5-yl]-1H-1,2,4-triazole-5-thione?
The canonical SMILES for 4-ethyl-3-[4-ethyl-2-(furan-2-yl)-1,3-thiazol-5-yl]-1H-1,2,4-triazole-5-thione is CCc1nc(-c2ccco2)sc1-c1n[nH]c(=S)n1CC.
What is the InChIKey of 4-ethyl-3-[4-ethyl-2-(furan-2-yl)-1,3-thiazol-5-yl]-1H-1,2,4-triazole-5-thione?
The InChIKey is LMEYXAINKRGSEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4OS2/c1-3-8-10(11-15-16-13(19)17(11)4-2)20-12(14-8)9-6-5-7-18-9/h5-7H,3-4H2,1-2H3,(H,16,19).
What are the key properties of 4-ethyl-3-[4-ethyl-2-(furan-2-yl)-1,3-thiazol-5-yl]-1H-1,2,4-triazole-5-thione?
4-ethyl-3-[4-ethyl-2-(furan-2-yl)-1,3-thiazol-5-yl]-1H-1,2,4-triazole-5-thione has a molecular weight of 306.42 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-[4-ethyl-2-(furan-2-yl)-1,3-thiazol-5-yl]-1H-1,2,4-triazole-5-thione is sourced from PubChem (CID 82430321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).