4-methyl-3-(5-methyl-1,3-oxazol-4-yl)-1H-1,2,4-triazole-5-thione

C7H8N4OS — CID 10012901

IUPAC4-methyl-3-(5-methyl-1,3-oxazol-4-yl)-1H-1,2,4-triazole-5-thione
SMILESCc1ocnc1-c1n[nH]c(=S)n1C
InChIInChI=1S/C7H8N4OS/c1-4-5(8-3-12-4)6-9-10-7(13)11(6)2/h3H,1-2H3,(H,10,13)
InChIKeyCWIPSXKHTYFIOU-UHFFFAOYSA-N
MW196.23 g/mol
LogP1.44
Rot. Bonds1

About 4-methyl-3-(5-methyl-1,3-oxazol-4-yl)-1H-1,2,4-triazole-5-thione

4-methyl-3-(5-methyl-1,3-oxazol-4-yl)-1H-1,2,4-triazole-5-thione (PubChem CID 10012901) has the molecular formula C7H8N4OS and a molecular weight of 196.23 g/mol. Its IUPAC name is 4-methyl-3-(5-methyl-1,3-oxazol-4-yl)-1H-1,2,4-triazole-5-thione.

Molecular Properties

Compound Name4-methyl-3-(5-methyl-1,3-oxazol-4-yl)-1H-1,2,4-triazole-5-thione
PubChem CID10012901
Molecular FormulaC7H8N4OS
Molecular Weight196.23 g/mol
Exact Mass196.04
IUPAC Name4-methyl-3-(5-methyl-1,3-oxazol-4-yl)-1H-1,2,4-triazole-5-thione
SMILESCc1ocnc1-c1n[nH]c(=S)n1C
InChIInChI=1S/C7H8N4OS/c1-4-5(8-3-12-4)6-9-10-7(13)11(6)2/h3H,1-2H3,(H,10,13)
InChIKeyCWIPSXKHTYFIOU-UHFFFAOYSA-N
XLogP1.44
TPSA59.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.23
LogP ≤ 51.44
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

N,N-dimethyl-5-(5-methyl-1,3-oxazol-4-yl)-1H-1,2,4-triazol-3-amine
CID 167911939
3-(5-ethylfuran-2-yl)-4-methyl-1H-1,2,4-triazole-5-thione
CID 115389400
3,4-dimethyl-1H-1,2,4-triazole-5-thione;ethane
CID 143798794
4-methyl-3-(2,4,6-trifluorophenyl)-1H-1,2,4-triazole-5-thione
CID 115389387
4-[3-(3-azabicyclo[3.1.0]hexan-3-yl)-1H-1,2,4-triazol-5-yl]-5-methyl-1,3-oxazole
CID 167832100
3-(2-chlorophenyl)-4-methyl-1H-1,2,4-triazole-5-thione
CID 779629
4-methyl-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1H-1,2,4-triazole-5-thione
CID 121315238
3-(3-fluoro-4-methylphenyl)-4-methyl-1H-1,2,4-triazole-5-thione
CID 115389457
3-(4-bromo-2-methylphenyl)-4-methyl-1H-1,2,4-triazole-5-thione
CID 115389362
3-(1-ethylpyrazol-3-yl)-4-methyl-1H-1,2,4-triazole-5-thione
CID 7172342
1-[4-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)phenyl]ethanone
CID 53415782
3-(1,2-dihydropyrazin-3-yl)-4-methyl-1H-1,2,4-triazole-5-thione
CID 155350917

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(5-methyl-1,3-oxazol-4-yl)-1H-1,2,4-triazole-5-thione?
The IUPAC name of 4-methyl-3-(5-methyl-1,3-oxazol-4-yl)-1H-1,2,4-triazole-5-thione (CID 10012901) is 4-methyl-3-(5-methyl-1,3-oxazol-4-yl)-1H-1,2,4-triazole-5-thione.
What is the SMILES notation for 4-methyl-3-(5-methyl-1,3-oxazol-4-yl)-1H-1,2,4-triazole-5-thione?
The canonical SMILES for 4-methyl-3-(5-methyl-1,3-oxazol-4-yl)-1H-1,2,4-triazole-5-thione is Cc1ocnc1-c1n[nH]c(=S)n1C.
What is the InChIKey of 4-methyl-3-(5-methyl-1,3-oxazol-4-yl)-1H-1,2,4-triazole-5-thione?
The InChIKey is CWIPSXKHTYFIOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4OS/c1-4-5(8-3-12-4)6-9-10-7(13)11(6)2/h3H,1-2H3,(H,10,13).
What are the key properties of 4-methyl-3-(5-methyl-1,3-oxazol-4-yl)-1H-1,2,4-triazole-5-thione?
4-methyl-3-(5-methyl-1,3-oxazol-4-yl)-1H-1,2,4-triazole-5-thione has a molecular weight of 196.23 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(5-methyl-1,3-oxazol-4-yl)-1H-1,2,4-triazole-5-thione is sourced from PubChem (CID 10012901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).