2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-[(2,5-dimethylphenoxy)methyl]-1,3,4-oxadiazole

C16H16N4O2S2 — CID 133427707

IUPAC2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-[(2,5-dimethylphenoxy)methyl]-1,3,4-oxadiazole
SMILESCc1ccc(C)c(OCc2nnc(Sc3nc(C4CC4)ns3)o2)c1
InChIInChI=1S/C16H16N4O2S2/c1-9-3-4-10(2)12(7-9)21-8-13-18-19-15(22-13)23-16-17-14(20-24-16)11-5-6-11/h3-4,7,11H,5-6,8H2,1-2H3
InChIKeyCMFMEZZDDMPGIK-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.15
Rot. Bonds6

About 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-[(2,5-dimethylphenoxy)methyl]-1,3,4-oxadiazole

2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-[(2,5-dimethylphenoxy)methyl]-1,3,4-oxadiazole (PubChem CID 133427707) has the molecular formula C16H16N4O2S2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-[(2,5-dimethylphenoxy)methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-[(2,5-dimethylphenoxy)methyl]-1,3,4-oxadiazole
PubChem CID133427707
Molecular FormulaC16H16N4O2S2
Molecular Weight360.46 g/mol
Exact Mass360.07
IUPAC Name2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-[(2,5-dimethylphenoxy)methyl]-1,3,4-oxadiazole
SMILESCc1ccc(C)c(OCc2nnc(Sc3nc(C4CC4)ns3)o2)c1
InChIInChI=1S/C16H16N4O2S2/c1-9-3-4-10(2)12(7-9)21-8-13-18-19-15(22-13)23-16-17-14(20-24-16)11-5-6-11/h3-4,7,11H,5-6,8H2,1-2H3
InChIKeyCMFMEZZDDMPGIK-UHFFFAOYSA-N
XLogP4.15
TPSA73.93 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-[(2,5-dimethylphenoxy)methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-[(2,5-dimethylphenoxy)methyl]-1,3,4-oxadiazole (CID 133427707) is 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-[(2,5-dimethylphenoxy)methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-[(2,5-dimethylphenoxy)methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-[(2,5-dimethylphenoxy)methyl]-1,3,4-oxadiazole is Cc1ccc(C)c(OCc2nnc(Sc3nc(C4CC4)ns3)o2)c1.
What is the InChIKey of 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-[(2,5-dimethylphenoxy)methyl]-1,3,4-oxadiazole?
The InChIKey is CMFMEZZDDMPGIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2S2/c1-9-3-4-10(2)12(7-9)21-8-13-18-19-15(22-13)23-16-17-14(20-24-16)11-5-6-11/h3-4,7,11H,5-6,8H2,1-2H3.
What are the key properties of 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-[(2,5-dimethylphenoxy)methyl]-1,3,4-oxadiazole?
2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-[(2,5-dimethylphenoxy)methyl]-1,3,4-oxadiazole has a molecular weight of 360.46 g/mol, XLogP of 4.15, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-[(2,5-dimethylphenoxy)methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 133427707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).