5-methyl-3-[2-[5-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]-1,3,4-thiadiazol-2-yl]ethyl]-1,2,4-oxadiazole

C13H15N5OS2 — CID 126703830

IUPAC5-methyl-3-[2-[5-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]-1,3,4-thiadiazol-2-yl]ethyl]-1,2,4-oxadiazole
SMILESCc1nc(CCc2nnc(CCc3cnc(C)s3)s2)no1
InChIInChI=1S/C13H15N5OS2/c1-8-15-11(18-19-8)4-6-13-17-16-12(21-13)5-3-10-7-14-9(2)20-10/h7H,3-6H2,1-2H3
InChIKeyCFVIOXUMIOFFQC-UHFFFAOYSA-N
MW321.43 g/mol
LogP2.56
Rot. Bonds6

About 5-methyl-3-[2-[5-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]-1,3,4-thiadiazol-2-yl]ethyl]-1,2,4-oxadiazole

5-methyl-3-[2-[5-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]-1,3,4-thiadiazol-2-yl]ethyl]-1,2,4-oxadiazole (PubChem CID 126703830) has the molecular formula C13H15N5OS2 and a molecular weight of 321.43 g/mol. Its IUPAC name is 5-methyl-3-[2-[5-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]-1,3,4-thiadiazol-2-yl]ethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-methyl-3-[2-[5-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]-1,3,4-thiadiazol-2-yl]ethyl]-1,2,4-oxadiazole
PubChem CID126703830
Molecular FormulaC13H15N5OS2
Molecular Weight321.43 g/mol
Exact Mass321.07
IUPAC Name5-methyl-3-[2-[5-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]-1,3,4-thiadiazol-2-yl]ethyl]-1,2,4-oxadiazole
SMILESCc1nc(CCc2nnc(CCc3cnc(C)s3)s2)no1
InChIInChI=1S/C13H15N5OS2/c1-8-15-11(18-19-8)4-6-13-17-16-12(21-13)5-3-10-7-14-9(2)20-10/h7H,3-6H2,1-2H3
InChIKeyCFVIOXUMIOFFQC-UHFFFAOYSA-N
XLogP2.56
TPSA77.59 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[2-[5-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]-1,3,4-thiadiazol-2-yl]ethyl]-1,2,4-oxadiazole?
The IUPAC name of 5-methyl-3-[2-[5-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]-1,3,4-thiadiazol-2-yl]ethyl]-1,2,4-oxadiazole (CID 126703830) is 5-methyl-3-[2-[5-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]-1,3,4-thiadiazol-2-yl]ethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-methyl-3-[2-[5-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]-1,3,4-thiadiazol-2-yl]ethyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-methyl-3-[2-[5-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]-1,3,4-thiadiazol-2-yl]ethyl]-1,2,4-oxadiazole is Cc1nc(CCc2nnc(CCc3cnc(C)s3)s2)no1.
What is the InChIKey of 5-methyl-3-[2-[5-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]-1,3,4-thiadiazol-2-yl]ethyl]-1,2,4-oxadiazole?
The InChIKey is CFVIOXUMIOFFQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5OS2/c1-8-15-11(18-19-8)4-6-13-17-16-12(21-13)5-3-10-7-14-9(2)20-10/h7H,3-6H2,1-2H3.
What are the key properties of 5-methyl-3-[2-[5-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]-1,3,4-thiadiazol-2-yl]ethyl]-1,2,4-oxadiazole?
5-methyl-3-[2-[5-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]-1,3,4-thiadiazol-2-yl]ethyl]-1,2,4-oxadiazole has a molecular weight of 321.43 g/mol, XLogP of 2.56, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[2-[5-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]-1,3,4-thiadiazol-2-yl]ethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 126703830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).