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

C12H16N6O3S — CID 122568510

IUPAC2-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]-N-(1,3-thiazol-2-yl)acetamide
SMILESCCc1noc(CCNC(=O)NCC(=O)Nc2nccs2)n1
InChIInChI=1S/C12H16N6O3S/c1-2-8-16-10(21-18-8)3-4-13-11(20)15-7-9(19)17-12-14-5-6-22-12/h5-6H,2-4,7H2,1H3,(H2,13,15,20)(H,14,17,19)
InChIKeyFAZPHLXPLUZRDF-UHFFFAOYSA-N
MW324.37 g/mol
LogP0.57
Rot. Bonds7

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

2-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 122568510) has the molecular formula C12H16N6O3S and a molecular weight of 324.37 g/mol. Its IUPAC name is 2-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID122568510
Molecular FormulaC12H16N6O3S
Molecular Weight324.37 g/mol
Exact Mass324.10
IUPAC Name2-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]-N-(1,3-thiazol-2-yl)acetamide
SMILESCCc1noc(CCNC(=O)NCC(=O)Nc2nccs2)n1
InChIInChI=1S/C12H16N6O3S/c1-2-8-16-10(21-18-8)3-4-13-11(20)15-7-9(19)17-12-14-5-6-22-12/h5-6H,2-4,7H2,1H3,(H2,13,15,20)(H,14,17,19)
InChIKeyFAZPHLXPLUZRDF-UHFFFAOYSA-N
XLogP0.57
TPSA122.04 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.37
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]-N-(1,3-thiazol-2-yl)acetamide (CID 122568510) is 2-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]-N-(1,3-thiazol-2-yl)acetamide is CCc1noc(CCNC(=O)NCC(=O)Nc2nccs2)n1.
What is the InChIKey of 2-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is FAZPHLXPLUZRDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O3S/c1-2-8-16-10(21-18-8)3-4-13-11(20)15-7-9(19)17-12-14-5-6-22-12/h5-6H,2-4,7H2,1H3,(H2,13,15,20)(H,14,17,19).
What are the key properties of 2-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]-N-(1,3-thiazol-2-yl)acetamide?
2-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 324.37 g/mol, XLogP of 0.57, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 122568510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).