3-ethyl-5-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1,2,4-thiadiazole

C14H15N5S2 — CID 133426983

IUPAC3-ethyl-5-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1,2,4-thiadiazole
SMILESCCc1nsc(Sc2nnc(-c3ccccc3)n2CC)n1
InChIInChI=1S/C14H15N5S2/c1-3-11-15-14(21-18-11)20-13-17-16-12(19(13)4-2)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3
InChIKeyOVAOABJMAMGZLA-UHFFFAOYSA-N
MW317.44 g/mol
LogP3.53
Rot. Bonds5

About 3-ethyl-5-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1,2,4-thiadiazole

3-ethyl-5-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1,2,4-thiadiazole (PubChem CID 133426983) has the molecular formula C14H15N5S2 and a molecular weight of 317.44 g/mol. Its IUPAC name is 3-ethyl-5-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-ethyl-5-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1,2,4-thiadiazole
PubChem CID133426983
Molecular FormulaC14H15N5S2
Molecular Weight317.44 g/mol
Exact Mass317.08
IUPAC Name3-ethyl-5-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1,2,4-thiadiazole
SMILESCCc1nsc(Sc2nnc(-c3ccccc3)n2CC)n1
InChIInChI=1S/C14H15N5S2/c1-3-11-15-14(21-18-11)20-13-17-16-12(19(13)4-2)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3
InChIKeyOVAOABJMAMGZLA-UHFFFAOYSA-N
XLogP3.53
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-ethyl-5-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1,2,4-thiadiazole with MolForge

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Related Compounds

3-cyclopropyl-5-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1,2,4-thiadiazole
CID 133426974
5-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-3-methyl-1,2,4-thiadiazole
CID 133426986
3-ethyl-5-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-1,2,4-thiadiazole
CID 133427010
5-[[4-benzyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-3-ethyl-1,2,4-thiadiazole
CID 133427381
3-ethyl-5-(1-methyl-5-phenylimidazol-2-yl)sulfanyl-1,2,4-thiadiazole
CID 133426171
3-ethyl-5-[[5-(furan-2-yl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1,2,4-thiadiazole
CID 133444077
5-[[4-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-3-methyl-1,2,4-thiadiazole
CID 133426956
3-butylsulfanyl-4-ethyl-5-phenyl-1,2,4-triazole
CID 78812573
(1R)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenylethanol
CID 2479408
2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]pyridine
CID 126122361
3-(cyclohexylmethylsulfanyl)-4-ethyl-5-phenyl-1,2,4-triazole
CID 86058119
4-(5-benzhydrylsulfanyl-4-ethyl-1,2,4-triazol-3-yl)pyridine
CID 55357059

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1,2,4-thiadiazole?
The IUPAC name of 3-ethyl-5-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1,2,4-thiadiazole (CID 133426983) is 3-ethyl-5-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1,2,4-thiadiazole.
What is the SMILES notation for 3-ethyl-5-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1,2,4-thiadiazole?
The canonical SMILES for 3-ethyl-5-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1,2,4-thiadiazole is CCc1nsc(Sc2nnc(-c3ccccc3)n2CC)n1.
What is the InChIKey of 3-ethyl-5-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1,2,4-thiadiazole?
The InChIKey is OVAOABJMAMGZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5S2/c1-3-11-15-14(21-18-11)20-13-17-16-12(19(13)4-2)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3.
What are the key properties of 3-ethyl-5-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1,2,4-thiadiazole?
3-ethyl-5-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1,2,4-thiadiazole has a molecular weight of 317.44 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1,2,4-thiadiazole is sourced from PubChem (CID 133426983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).