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

C11H16N4S2 — CID 82431238

IUPAC4-ethyl-3-(2-methyl-4-propyl-1,3-thiazol-5-yl)-1H-1,2,4-triazole-5-thione
SMILESCCCc1nc(C)sc1-c1n[nH]c(=S)n1CC
InChIInChI=1S/C11H16N4S2/c1-4-6-8-9(17-7(3)12-8)10-13-14-11(16)15(10)5-2/h4-6H2,1-3H3,(H,14,16)
InChIKeyDMQWCZQGFGQAEW-UHFFFAOYSA-N
MW268.41 g/mol
LogP3.35
Rot. Bonds4

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

4-ethyl-3-(2-methyl-4-propyl-1,3-thiazol-5-yl)-1H-1,2,4-triazole-5-thione (PubChem CID 82431238) has the molecular formula C11H16N4S2 and a molecular weight of 268.41 g/mol. Its IUPAC name is 4-ethyl-3-(2-methyl-4-propyl-1,3-thiazol-5-yl)-1H-1,2,4-triazole-5-thione.

Molecular Properties

Compound Name4-ethyl-3-(2-methyl-4-propyl-1,3-thiazol-5-yl)-1H-1,2,4-triazole-5-thione
PubChem CID82431238
Molecular FormulaC11H16N4S2
Molecular Weight268.41 g/mol
Exact Mass268.08
IUPAC Name4-ethyl-3-(2-methyl-4-propyl-1,3-thiazol-5-yl)-1H-1,2,4-triazole-5-thione
SMILESCCCc1nc(C)sc1-c1n[nH]c(=S)n1CC
InChIInChI=1S/C11H16N4S2/c1-4-6-8-9(17-7(3)12-8)10-13-14-11(16)15(10)5-2/h4-6H2,1-3H3,(H,14,16)
InChIKeyDMQWCZQGFGQAEW-UHFFFAOYSA-N
XLogP3.35
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.41
LogP ≤ 53.35
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-(2-methylpropyl)-4-propyl-1,3-thiazol-5-yl]-1H-1,2,4-triazole-5-thione
CID 82432313
4-ethyl-3-(4-ethyl-1,3-thiazol-5-yl)-1H-1,2,4-triazole-5-thione
CID 82428073
3-(4-methyl-2-propyl-1,3-thiazol-5-yl)-4-propyl-1H-1,2,4-triazole-5-thione
CID 82425765
4-ethyl-3-(5-methylthiophen-2-yl)-1H-1,2,4-triazole-5-thione
CID 67070783
4-methyl-3-(2-propan-2-yl-4-propyl-1,3-thiazol-5-yl)-1H-1,2,4-triazole-5-thione
CID 82431368
4-ethyl-3-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-1H-1,2,4-triazole-5-thione
CID 1478768
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-[4-ethyl-2-(furan-2-yl)-1,3-thiazol-5-yl]-1H-1,2,4-triazole-5-thione
CID 82430321
4-ethyl-3-(1-methylpyrazol-4-yl)-1H-1,2,4-triazole-5-thione
CID 40585379
4-ethyl-3-(2,3,4,5,6-pentafluorophenyl)-1H-1,2,4-triazole-5-thione
CID 115389543
3-(4-tert-butylthiadiazol-5-yl)-4-propyl-1H-1,2,4-triazole-5-thione
CID 136967229
3-[2-(azepan-1-yl)-1,3-thiazol-5-yl]-4-ethyl-1H-1,2,4-triazole-5-thione
CID 82425450

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-(2-methyl-4-propyl-1,3-thiazol-5-yl)-1H-1,2,4-triazole-5-thione?
The IUPAC name of 4-ethyl-3-(2-methyl-4-propyl-1,3-thiazol-5-yl)-1H-1,2,4-triazole-5-thione (CID 82431238) is 4-ethyl-3-(2-methyl-4-propyl-1,3-thiazol-5-yl)-1H-1,2,4-triazole-5-thione.
What is the SMILES notation for 4-ethyl-3-(2-methyl-4-propyl-1,3-thiazol-5-yl)-1H-1,2,4-triazole-5-thione?
The canonical SMILES for 4-ethyl-3-(2-methyl-4-propyl-1,3-thiazol-5-yl)-1H-1,2,4-triazole-5-thione is CCCc1nc(C)sc1-c1n[nH]c(=S)n1CC.
What is the InChIKey of 4-ethyl-3-(2-methyl-4-propyl-1,3-thiazol-5-yl)-1H-1,2,4-triazole-5-thione?
The InChIKey is DMQWCZQGFGQAEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4S2/c1-4-6-8-9(17-7(3)12-8)10-13-14-11(16)15(10)5-2/h4-6H2,1-3H3,(H,14,16).
What are the key properties of 4-ethyl-3-(2-methyl-4-propyl-1,3-thiazol-5-yl)-1H-1,2,4-triazole-5-thione?
4-ethyl-3-(2-methyl-4-propyl-1,3-thiazol-5-yl)-1H-1,2,4-triazole-5-thione has a molecular weight of 268.41 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-(2-methyl-4-propyl-1,3-thiazol-5-yl)-1H-1,2,4-triazole-5-thione is sourced from PubChem (CID 82431238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).