4-methyl-5-(5-methylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)thiadiazole

C12H11N5S2 — CID 54397147

IUPAC4-methyl-5-(5-methylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)thiadiazole
SMILESCSc1nnc(-c2snnc2C)n1-c1ccccc1
InChIInChI=1S/C12H11N5S2/c1-8-10(19-16-13-8)11-14-15-12(18-2)17(11)9-6-4-3-5-7-9/h3-7H,1-2H3
InChIKeyVKUFKERBJVYAQC-UHFFFAOYSA-N
MW289.39 g/mol
LogP2.82
Rot. Bonds3

About 4-methyl-5-(5-methylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)thiadiazole

4-methyl-5-(5-methylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)thiadiazole (PubChem CID 54397147) has the molecular formula C12H11N5S2 and a molecular weight of 289.39 g/mol. Its IUPAC name is 4-methyl-5-(5-methylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)thiadiazole.

Molecular Properties

Compound Name4-methyl-5-(5-methylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)thiadiazole
PubChem CID54397147
Molecular FormulaC12H11N5S2
Molecular Weight289.39 g/mol
Exact Mass289.05
IUPAC Name4-methyl-5-(5-methylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)thiadiazole
SMILESCSc1nnc(-c2snnc2C)n1-c1ccccc1
InChIInChI=1S/C12H11N5S2/c1-8-10(19-16-13-8)11-14-15-12(18-2)17(11)9-6-4-3-5-7-9/h3-7H,1-2H3
InChIKeyVKUFKERBJVYAQC-UHFFFAOYSA-N
XLogP2.82
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.39
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-[5-[(3-fluorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]-4-methylthiadiazole
CID 141309638
3-(4-chlorophenyl)-5-methylsulfanyl-4-phenyl-1,2,4-triazole
CID 47003671
5-(5-benzylsulfanyl-4-ethyl-1,2,4-triazol-3-yl)-4-methylthiadiazole
CID 57456532
4-methyl-5-[5-[[5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-4-phenyl-1,2,4-triazol-3-yl]disulfanyl]-4-phenyl-1,2,4-triazol-3-yl]-2-phenyl-1,3-thiazole
CID 139206240
4-methyl-5-(5-methylsulfonyl-4-naphthalen-2-yl-1,2,4-triazol-3-yl)thiadiazole
CID 102013383
1,1-bis(methylsulfanyl)-N-(5-methylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)methanimine
CID 15050987
2-[[4-methyl-5-(4-methylthiadiazol-5-yl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 115393069
3-ethylsulfanyl-4,5-diphenyl-1,2,4-triazole
CID 893283
2-methylsulfanyl-3-phenylimidazol-4-amine
CID 101471357
4-(4-chlorophenyl)-3-(2-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazole
CID 40560058
2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamine
CID 82044169
3-ethylsulfanyl-5-methyl-4-phenyl-1,2,4-triazole
CID 7205487

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(5-methylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)thiadiazole?
The IUPAC name of 4-methyl-5-(5-methylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)thiadiazole (CID 54397147) is 4-methyl-5-(5-methylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)thiadiazole.
What is the SMILES notation for 4-methyl-5-(5-methylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)thiadiazole?
The canonical SMILES for 4-methyl-5-(5-methylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)thiadiazole is CSc1nnc(-c2snnc2C)n1-c1ccccc1.
What is the InChIKey of 4-methyl-5-(5-methylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)thiadiazole?
The InChIKey is VKUFKERBJVYAQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5S2/c1-8-10(19-16-13-8)11-14-15-12(18-2)17(11)9-6-4-3-5-7-9/h3-7H,1-2H3.
What are the key properties of 4-methyl-5-(5-methylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)thiadiazole?
4-methyl-5-(5-methylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)thiadiazole has a molecular weight of 289.39 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(5-methylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)thiadiazole is sourced from PubChem (CID 54397147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).