3-(2-methoxyethyl)-5-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-1,2,4-thiadiazole

C15H24N6OS — CID 84597179

IUPAC3-(2-methoxyethyl)-5-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-1,2,4-thiadiazole
SMILESCOCCc1nsc(N2CCC(c3nncn3C(C)C)CC2)n1
InChIInChI=1S/C15H24N6OS/c1-11(2)21-10-16-18-14(21)12-4-7-20(8-5-12)15-17-13(19-23-15)6-9-22-3/h10-12H,4-9H2,1-3H3
InChIKeyRAUCPYGPOMUOKW-UHFFFAOYSA-N
MW336.47 g/mol
LogP2.28
Rot. Bonds6

About 3-(2-methoxyethyl)-5-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-1,2,4-thiadiazole

3-(2-methoxyethyl)-5-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-1,2,4-thiadiazole (PubChem CID 84597179) has the molecular formula C15H24N6OS and a molecular weight of 336.47 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-5-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-(2-methoxyethyl)-5-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-1,2,4-thiadiazole
PubChem CID84597179
Molecular FormulaC15H24N6OS
Molecular Weight336.47 g/mol
Exact Mass336.17
IUPAC Name3-(2-methoxyethyl)-5-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-1,2,4-thiadiazole
SMILESCOCCc1nsc(N2CCC(c3nncn3C(C)C)CC2)n1
InChIInChI=1S/C15H24N6OS/c1-11(2)21-10-16-18-14(21)12-4-7-20(8-5-12)15-17-13(19-23-15)6-9-22-3/h10-12H,4-9H2,1-3H3
InChIKeyRAUCPYGPOMUOKW-UHFFFAOYSA-N
XLogP2.28
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.47
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-5-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-1,2,4-thiadiazole?
The IUPAC name of 3-(2-methoxyethyl)-5-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-1,2,4-thiadiazole (CID 84597179) is 3-(2-methoxyethyl)-5-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-1,2,4-thiadiazole.
What is the SMILES notation for 3-(2-methoxyethyl)-5-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-1,2,4-thiadiazole?
The canonical SMILES for 3-(2-methoxyethyl)-5-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-1,2,4-thiadiazole is COCCc1nsc(N2CCC(c3nncn3C(C)C)CC2)n1.
What is the InChIKey of 3-(2-methoxyethyl)-5-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-1,2,4-thiadiazole?
The InChIKey is RAUCPYGPOMUOKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6OS/c1-11(2)21-10-16-18-14(21)12-4-7-20(8-5-12)15-17-13(19-23-15)6-9-22-3/h10-12H,4-9H2,1-3H3.
What are the key properties of 3-(2-methoxyethyl)-5-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-1,2,4-thiadiazole?
3-(2-methoxyethyl)-5-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-1,2,4-thiadiazole has a molecular weight of 336.47 g/mol, XLogP of 2.28, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-5-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-1,2,4-thiadiazole is sourced from PubChem (CID 84597179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).