2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-1-(1,2-oxazolidin-2-yl)ethanone

C9H14N4O2S — CID 126828756

IUPAC2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-1-(1,2-oxazolidin-2-yl)ethanone
SMILESCCc1nsc(NCC(=O)N2CCCO2)n1
InChIInChI=1S/C9H14N4O2S/c1-2-7-11-9(16-12-7)10-6-8(14)13-4-3-5-15-13/h2-6H2,1H3,(H,10,11,12)
InChIKeyAYVFRHFCBORCFL-UHFFFAOYSA-N
MW242.30 g/mol
LogP0.68
Rot. Bonds4

About 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-1-(1,2-oxazolidin-2-yl)ethanone

2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-1-(1,2-oxazolidin-2-yl)ethanone (PubChem CID 126828756) has the molecular formula C9H14N4O2S and a molecular weight of 242.30 g/mol. Its IUPAC name is 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-1-(1,2-oxazolidin-2-yl)ethanone.

Molecular Properties

Compound Name2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-1-(1,2-oxazolidin-2-yl)ethanone
PubChem CID126828756
Molecular FormulaC9H14N4O2S
Molecular Weight242.30 g/mol
Exact Mass242.08
IUPAC Name2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-1-(1,2-oxazolidin-2-yl)ethanone
SMILESCCc1nsc(NCC(=O)N2CCCO2)n1
InChIInChI=1S/C9H14N4O2S/c1-2-7-11-9(16-12-7)10-6-8(14)13-4-3-5-15-13/h2-6H2,1H3,(H,10,11,12)
InChIKeyAYVFRHFCBORCFL-UHFFFAOYSA-N
XLogP0.68
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-1-(1,2-oxazolidin-2-yl)ethanone?
The IUPAC name of 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-1-(1,2-oxazolidin-2-yl)ethanone (CID 126828756) is 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-1-(1,2-oxazolidin-2-yl)ethanone.
What is the SMILES notation for 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-1-(1,2-oxazolidin-2-yl)ethanone?
The canonical SMILES for 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-1-(1,2-oxazolidin-2-yl)ethanone is CCc1nsc(NCC(=O)N2CCCO2)n1.
What is the InChIKey of 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-1-(1,2-oxazolidin-2-yl)ethanone?
The InChIKey is AYVFRHFCBORCFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2S/c1-2-7-11-9(16-12-7)10-6-8(14)13-4-3-5-15-13/h2-6H2,1H3,(H,10,11,12).
What are the key properties of 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-1-(1,2-oxazolidin-2-yl)ethanone?
2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-1-(1,2-oxazolidin-2-yl)ethanone has a molecular weight of 242.30 g/mol, XLogP of 0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-1-(1,2-oxazolidin-2-yl)ethanone is sourced from PubChem (CID 126828756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).