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

C14H18N6OS2 — CID 1018090

IUPAC2-[(2R)-butan-2-yl]sulfanyl-5-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-1,3,4-oxadiazole
SMILESCC[C@@H](C)Sc1nnc(CSc2nc3nc(C)cc(C)n3n2)o1
InChIInChI=1S/C14H18N6OS2/c1-5-10(4)23-14-18-17-11(21-14)7-22-13-16-12-15-8(2)6-9(3)20(12)19-13/h6,10H,5,7H2,1-4H3/t10-/m1/s1
InChIKeyDUFQFSBXUIXVDE-SNVBAGLBSA-N
MW350.47 g/mol
LogP3.31
Rot. Bonds6

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

2-[(2R)-butan-2-yl]sulfanyl-5-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-1,3,4-oxadiazole (PubChem CID 1018090) has the molecular formula C14H18N6OS2 and a molecular weight of 350.47 g/mol. Its IUPAC name is 2-[(2R)-butan-2-yl]sulfanyl-5-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(2R)-butan-2-yl]sulfanyl-5-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-1,3,4-oxadiazole
PubChem CID1018090
Molecular FormulaC14H18N6OS2
Molecular Weight350.47 g/mol
Exact Mass350.10
IUPAC Name2-[(2R)-butan-2-yl]sulfanyl-5-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-1,3,4-oxadiazole
SMILESCC[C@@H](C)Sc1nnc(CSc2nc3nc(C)cc(C)n3n2)o1
InChIInChI=1S/C14H18N6OS2/c1-5-10(4)23-14-18-17-11(21-14)7-22-13-16-12-15-8(2)6-9(3)20(12)19-13/h6,10H,5,7H2,1-4H3/t10-/m1/s1
InChIKeyDUFQFSBXUIXVDE-SNVBAGLBSA-N
XLogP3.31
TPSA82.00 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-[(2R)-butan-2-yl]sulfanyl-5-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-1,3,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-2,5-dimethyl-1,3-oxazole
CID 122154287
5,7-dimethyl-2-propan-2-ylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 12915233
5,7-dimethyl-2-(pyridin-4-ylmethylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 12915206
2-methylsulfanyl-5-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-1,3,4-oxadiazole
CID 24850835
(4S)-4-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]pentan-1-ol
CID 125420364
5,7-dimethyl-2-[(2-methylphenyl)methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 5173536
2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-5-ethoxy-1,3,4-thiadiazole
CID 52729567
2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]propanamide
CID 4821181
N-[1-(4-chlorophenyl)propyl]-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetamide
CID 74597194
5-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 38079955
5,7-dimethyl-2-[(2R)-4-phenylsulfanylbutan-2-yl]sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 96542426
5-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
CID 71873107

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-butan-2-yl]sulfanyl-5-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-1,3,4-oxadiazole?
The IUPAC name of 2-[(2R)-butan-2-yl]sulfanyl-5-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-1,3,4-oxadiazole (CID 1018090) is 2-[(2R)-butan-2-yl]sulfanyl-5-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(2R)-butan-2-yl]sulfanyl-5-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[(2R)-butan-2-yl]sulfanyl-5-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-1,3,4-oxadiazole is CC[C@@H](C)Sc1nnc(CSc2nc3nc(C)cc(C)n3n2)o1.
What is the InChIKey of 2-[(2R)-butan-2-yl]sulfanyl-5-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-1,3,4-oxadiazole?
The InChIKey is DUFQFSBXUIXVDE-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H18N6OS2/c1-5-10(4)23-14-18-17-11(21-14)7-22-13-16-12-15-8(2)6-9(3)20(12)19-13/h6,10H,5,7H2,1-4H3/t10-/m1/s1.
What are the key properties of 2-[(2R)-butan-2-yl]sulfanyl-5-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-1,3,4-oxadiazole?
2-[(2R)-butan-2-yl]sulfanyl-5-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-1,3,4-oxadiazole has a molecular weight of 350.47 g/mol, XLogP of 3.31, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-butan-2-yl]sulfanyl-5-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-1,3,4-oxadiazole is sourced from PubChem (CID 1018090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).