2-butan-2-ylsulfanyl-5-[1-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]ethyl]-1,3,4-oxadiazole

C15H20N6OS2 — CID 24850900

IUPAC2-butan-2-ylsulfanyl-5-[1-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]ethyl]-1,3,4-oxadiazole
SMILESCCC(C)Sc1nnc(C(C)Sc2nc3nc(C)cc(C)n3n2)o1
InChIInChI=1S/C15H20N6OS2/c1-6-10(4)23-15-19-18-12(22-15)11(5)24-14-17-13-16-8(2)7-9(3)21(13)20-14/h7,10-11H,6H2,1-5H3
InChIKeySUPYXWBRLQZAPQ-UHFFFAOYSA-N
MW364.50 g/mol
LogP3.87
Rot. Bonds6

About 2-butan-2-ylsulfanyl-5-[1-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]ethyl]-1,3,4-oxadiazole

2-butan-2-ylsulfanyl-5-[1-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]ethyl]-1,3,4-oxadiazole (PubChem CID 24850900) has the molecular formula C15H20N6OS2 and a molecular weight of 364.50 g/mol. Its IUPAC name is 2-butan-2-ylsulfanyl-5-[1-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]ethyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-butan-2-ylsulfanyl-5-[1-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]ethyl]-1,3,4-oxadiazole
PubChem CID24850900
Molecular FormulaC15H20N6OS2
Molecular Weight364.50 g/mol
Exact Mass364.11
IUPAC Name2-butan-2-ylsulfanyl-5-[1-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]ethyl]-1,3,4-oxadiazole
SMILESCCC(C)Sc1nnc(C(C)Sc2nc3nc(C)cc(C)n3n2)o1
InChIInChI=1S/C15H20N6OS2/c1-6-10(4)23-15-19-18-12(22-15)11(5)24-14-17-13-16-8(2)7-9(3)21(13)20-14/h7,10-11H,6H2,1-5H3
InChIKeySUPYXWBRLQZAPQ-UHFFFAOYSA-N
XLogP3.87
TPSA82.00 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.50
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

2-(5,7-Dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-ylsulfanyl)-N-(5-ethyl-[1,3,4]thiadiazol-2-yl)-acetamide
CID 24792315
Acetic acid, (5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)-, methyl ester
CID 713782
Acetic acid, (5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)-, ethyl ester
CID 714429
2-[5-(4,6-Dimethyl-pyrimidin-2-ylsulfanylmethyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-N-(5-ethyl-[1,3,4]thiadiazol-2-yl)-acetamide
CID 648912
5,7-Dimethyl-2-({[5-(octylsulfanyl)-1,3,4-oxadiazol-2-yl]methyl}sulfanyl)[1,2,4]triazolo[1,5-a]pyrimidine
CID 1818166
2-({[5-(Butylthio)-1,3,4-oxadiazol-2-yl]methyl}thio)-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidine
CID 1818169
2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N,N-di(propan-2-yl)acetamide
CID 2587038
2-({[5-(Sec-butylsulfanyl)-1,3,4-oxadiazol-2-yl]methyl}sulfanyl)-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidine
CID 5063856
2-[(5,7-Dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-1-pyrrolidin-1-ylethanone
CID 757642
2-[[5-[(4,6-Dimethylpyrimidin-2-yl)sulfanylmethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 3167546
2-(Ethylthio)-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidine
CID 713783
2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 8002410

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-ylsulfanyl-5-[1-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]ethyl]-1,3,4-oxadiazole?
The IUPAC name of 2-butan-2-ylsulfanyl-5-[1-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]ethyl]-1,3,4-oxadiazole (CID 24850900) is 2-butan-2-ylsulfanyl-5-[1-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]ethyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-butan-2-ylsulfanyl-5-[1-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]ethyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-butan-2-ylsulfanyl-5-[1-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]ethyl]-1,3,4-oxadiazole is CCC(C)Sc1nnc(C(C)Sc2nc3nc(C)cc(C)n3n2)o1.
What is the InChIKey of 2-butan-2-ylsulfanyl-5-[1-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]ethyl]-1,3,4-oxadiazole?
The InChIKey is SUPYXWBRLQZAPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6OS2/c1-6-10(4)23-15-19-18-12(22-15)11(5)24-14-17-13-16-8(2)7-9(3)21(13)20-14/h7,10-11H,6H2,1-5H3.
What are the key properties of 2-butan-2-ylsulfanyl-5-[1-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]ethyl]-1,3,4-oxadiazole?
2-butan-2-ylsulfanyl-5-[1-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]ethyl]-1,3,4-oxadiazole has a molecular weight of 364.50 g/mol, XLogP of 3.87, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-ylsulfanyl-5-[1-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]ethyl]-1,3,4-oxadiazole is sourced from PubChem (CID 24850900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).