2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide

C13H17N5O2S — CID 53192023

IUPAC2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCc1noc(C2CCCCN2CC(=O)Nc2nccs2)n1
InChIInChI=1S/C13H17N5O2S/c1-9-15-12(20-17-9)10-4-2-3-6-18(10)8-11(19)16-13-14-5-7-21-13/h5,7,10H,2-4,6,8H2,1H3,(H,14,16,19)
InChIKeyLNSUBJDOZUWZDA-UHFFFAOYSA-N
MW307.38 g/mol
LogP2.00
Rot. Bonds4

About 2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide

2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 53192023) has the molecular formula C13H17N5O2S and a molecular weight of 307.38 g/mol. Its IUPAC name is 2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID53192023
Molecular FormulaC13H17N5O2S
Molecular Weight307.38 g/mol
Exact Mass307.11
IUPAC Name2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCc1noc(C2CCCCN2CC(=O)Nc2nccs2)n1
InChIInChI=1S/C13H17N5O2S/c1-9-15-12(20-17-9)10-4-2-3-6-18(10)8-11(19)16-13-14-5-7-21-13/h5,7,10H,2-4,6,8H2,1H3,(H,14,16,19)
InChIKeyLNSUBJDOZUWZDA-UHFFFAOYSA-N
XLogP2.00
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide (CID 53192023) is 2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide is Cc1noc(C2CCCCN2CC(=O)Nc2nccs2)n1.
What is the InChIKey of 2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is LNSUBJDOZUWZDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2S/c1-9-15-12(20-17-9)10-4-2-3-6-18(10)8-11(19)16-13-14-5-7-21-13/h5,7,10H,2-4,6,8H2,1H3,(H,14,16,19).
What are the key properties of 2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 307.38 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 53192023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).