3-[(5-amino-1,3,4-thiadiazol-2-yl)methylsulfanyl]-4-ethyl-1H-1,2,4-triazol-5-one

C7H10N6OS2 — CID 80614366

IUPAC3-[(5-amino-1,3,4-thiadiazol-2-yl)methylsulfanyl]-4-ethyl-1H-1,2,4-triazol-5-one
SMILESCCn1c(SCc2nnc(N)s2)n[nH]c1=O
InChIInChI=1S/C7H10N6OS2/c1-2-13-6(14)11-12-7(13)15-3-4-9-10-5(8)16-4/h2-3H2,1H3,(H2,8,10)(H,11,14)
InChIKeyWMGOTIFFSYJXHP-UHFFFAOYSA-N
MW258.33 g/mol
LogP0.32
Rot. Bonds4

About 3-[(5-amino-1,3,4-thiadiazol-2-yl)methylsulfanyl]-4-ethyl-1H-1,2,4-triazol-5-one

3-[(5-amino-1,3,4-thiadiazol-2-yl)methylsulfanyl]-4-ethyl-1H-1,2,4-triazol-5-one (PubChem CID 80614366) has the molecular formula C7H10N6OS2 and a molecular weight of 258.33 g/mol. Its IUPAC name is 3-[(5-amino-1,3,4-thiadiazol-2-yl)methylsulfanyl]-4-ethyl-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name3-[(5-amino-1,3,4-thiadiazol-2-yl)methylsulfanyl]-4-ethyl-1H-1,2,4-triazol-5-one
PubChem CID80614366
Molecular FormulaC7H10N6OS2
Molecular Weight258.33 g/mol
Exact Mass258.04
IUPAC Name3-[(5-amino-1,3,4-thiadiazol-2-yl)methylsulfanyl]-4-ethyl-1H-1,2,4-triazol-5-one
SMILESCCn1c(SCc2nnc(N)s2)n[nH]c1=O
InChIInChI=1S/C7H10N6OS2/c1-2-13-6(14)11-12-7(13)15-3-4-9-10-5(8)16-4/h2-3H2,1H3,(H2,8,10)(H,11,14)
InChIKeyWMGOTIFFSYJXHP-UHFFFAOYSA-N
XLogP0.32
TPSA102.48 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.33
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-[(5-amino-1,3,4-thiadiazol-2-yl)methylsulfanyl]-4-ethyl-1H-1,2,4-triazol-5-one with MolForge

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Related Compounds

3-[(5-amino-1,3,4-thiadiazol-2-yl)methylsulfanyl]-4-cyclopropyl-1H-1,2,4-triazol-5-one
CID 80614755
3-[(3-amino-4-hydroxyphenyl)methylsulfanyl]-4-ethyl-1H-1,2,4-triazol-5-one
CID 55129328
4-ethyl-3-[[2-(ethylamino)-1,3-thiazol-5-yl]methylsulfanyl]-1H-1,2,4-triazol-5-one
CID 79774994
3-[(2-amino-4-chlorophenyl)methylsulfanyl]-4-ethyl-1H-1,2,4-triazol-5-one
CID 62884597
3-[(5-amino-2-hydroxyphenyl)methylsulfanyl]-4-ethyl-1H-1,2,4-triazol-5-one
CID 62883901
3-[[5-(aminomethyl)furan-2-yl]methylsulfanyl]-4-ethyl-1H-1,2,4-triazol-5-one
CID 113372569
4-ethyl-3-prop-2-ynylsulfanyl-1H-1,2,4-triazol-5-one
CID 60626329
3-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-4-ethyl-1H-1,2,4-triazol-5-one
CID 62882204
2-amino-3-[(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-2-methylpropanoic acid
CID 62882041
3-[(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-2-(methylamino)propanamide
CID 62882754
2-amino-4-[(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]butanamide
CID 63033831
3-[2-(2-aminophenyl)-2-hydroxyethyl]sulfanyl-4-ethyl-1H-1,2,4-triazol-5-one
CID 62884595

Frequently Asked Questions

What is the IUPAC name of 3-[(5-amino-1,3,4-thiadiazol-2-yl)methylsulfanyl]-4-ethyl-1H-1,2,4-triazol-5-one?
The IUPAC name of 3-[(5-amino-1,3,4-thiadiazol-2-yl)methylsulfanyl]-4-ethyl-1H-1,2,4-triazol-5-one (CID 80614366) is 3-[(5-amino-1,3,4-thiadiazol-2-yl)methylsulfanyl]-4-ethyl-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 3-[(5-amino-1,3,4-thiadiazol-2-yl)methylsulfanyl]-4-ethyl-1H-1,2,4-triazol-5-one?
The canonical SMILES for 3-[(5-amino-1,3,4-thiadiazol-2-yl)methylsulfanyl]-4-ethyl-1H-1,2,4-triazol-5-one is CCn1c(SCc2nnc(N)s2)n[nH]c1=O.
What is the InChIKey of 3-[(5-amino-1,3,4-thiadiazol-2-yl)methylsulfanyl]-4-ethyl-1H-1,2,4-triazol-5-one?
The InChIKey is WMGOTIFFSYJXHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N6OS2/c1-2-13-6(14)11-12-7(13)15-3-4-9-10-5(8)16-4/h2-3H2,1H3,(H2,8,10)(H,11,14).
What are the key properties of 3-[(5-amino-1,3,4-thiadiazol-2-yl)methylsulfanyl]-4-ethyl-1H-1,2,4-triazol-5-one?
3-[(5-amino-1,3,4-thiadiazol-2-yl)methylsulfanyl]-4-ethyl-1H-1,2,4-triazol-5-one has a molecular weight of 258.33 g/mol, XLogP of 0.32, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-amino-1,3,4-thiadiazol-2-yl)methylsulfanyl]-4-ethyl-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 80614366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).