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

C13H16N6OS — CID 139492383

IUPAC5-methyl-3-[2-[5-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]-1H-1,2,4-triazol-3-yl]ethyl]-1,2,4-oxadiazole
SMILESCc1nc(CCc2n[nH]c(CCc3cnc(C)s3)n2)no1
InChIInChI=1S/C13H16N6OS/c1-8-15-13(19-20-8)6-5-12-16-11(17-18-12)4-3-10-7-14-9(2)21-10/h7H,3-6H2,1-2H3,(H,16,17,18)
InChIKeyMGGXZJIXMKAYFV-UHFFFAOYSA-N
MW304.38 g/mol
LogP1.83
Rot. Bonds6

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

5-methyl-3-[2-[5-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]-1H-1,2,4-triazol-3-yl]ethyl]-1,2,4-oxadiazole (PubChem CID 139492383) has the molecular formula C13H16N6OS and a molecular weight of 304.38 g/mol. Its IUPAC name is 5-methyl-3-[2-[5-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]-1H-1,2,4-triazol-3-yl]ethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-methyl-3-[2-[5-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]-1H-1,2,4-triazol-3-yl]ethyl]-1,2,4-oxadiazole
PubChem CID139492383
Molecular FormulaC13H16N6OS
Molecular Weight304.38 g/mol
Exact Mass304.11
IUPAC Name5-methyl-3-[2-[5-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]-1H-1,2,4-triazol-3-yl]ethyl]-1,2,4-oxadiazole
SMILESCc1nc(CCc2n[nH]c(CCc3cnc(C)s3)n2)no1
InChIInChI=1S/C13H16N6OS/c1-8-15-13(19-20-8)6-5-12-16-11(17-18-12)4-3-10-7-14-9(2)21-10/h7H,3-6H2,1-2H3,(H,16,17,18)
InChIKeyMGGXZJIXMKAYFV-UHFFFAOYSA-N
XLogP1.83
TPSA93.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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
1-(2-methyl-1,3-thiazol-5-yl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanamine
CID 115685711
(2-methyl-1,3-thiazol-5-yl)methanethiol
CID 82514756
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine
CID 104878939
5-but-3-enyl-2-methyl-1,3-thiazole
CID 145451316
2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 103647951
5-(bromomethyl)-2-methyl-1,3-thiazole
CID 55250786
2-methyl-5-(3-methylpentyl)-1,3-thiazole
CID 90806194
2-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,3-thiazole-2,5-diamine
CID 106393181
ethane;(5-methyl-1,2,4-oxadiazol-3-yl)methanamine
CID 143984808
4-methyl-2-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-2,5-diamine
CID 106413974
5-(2-methyl-1,3-thiazol-5-yl)pentanoic acid
CID 21405586

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[2-[5-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]-1H-1,2,4-triazol-3-yl]ethyl]-1,2,4-oxadiazole?
The IUPAC name of 5-methyl-3-[2-[5-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]-1H-1,2,4-triazol-3-yl]ethyl]-1,2,4-oxadiazole (CID 139492383) is 5-methyl-3-[2-[5-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]-1H-1,2,4-triazol-3-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]-1H-1,2,4-triazol-3-yl]ethyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-methyl-3-[2-[5-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]-1H-1,2,4-triazol-3-yl]ethyl]-1,2,4-oxadiazole is Cc1nc(CCc2n[nH]c(CCc3cnc(C)s3)n2)no1.
What is the InChIKey of 5-methyl-3-[2-[5-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]-1H-1,2,4-triazol-3-yl]ethyl]-1,2,4-oxadiazole?
The InChIKey is MGGXZJIXMKAYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6OS/c1-8-15-13(19-20-8)6-5-12-16-11(17-18-12)4-3-10-7-14-9(2)21-10/h7H,3-6H2,1-2H3,(H,16,17,18).
What are the key properties of 5-methyl-3-[2-[5-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]-1H-1,2,4-triazol-3-yl]ethyl]-1,2,4-oxadiazole?
5-methyl-3-[2-[5-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]-1H-1,2,4-triazol-3-yl]ethyl]-1,2,4-oxadiazole has a molecular weight of 304.38 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 7 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]-1H-1,2,4-triazol-3-yl]ethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 139492383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).