1-(4-ethylthiadiazol-5-yl)-2-(oxan-4-yl)ethanone

C11H16N2O2S — CID 105092076

IUPAC1-(4-ethylthiadiazol-5-yl)-2-(oxan-4-yl)ethanone
SMILESCCc1nnsc1C(=O)CC1CCOCC1
InChIInChI=1S/C11H16N2O2S/c1-2-9-11(16-13-12-9)10(14)7-8-3-5-15-6-4-8/h8H,2-7H2,1H3
InChIKeyWMOISPAJTYJGLM-UHFFFAOYSA-N
MW240.33 g/mol
LogP2.10
Rot. Bonds4

About 1-(4-ethylthiadiazol-5-yl)-2-(oxan-4-yl)ethanone

1-(4-ethylthiadiazol-5-yl)-2-(oxan-4-yl)ethanone (PubChem CID 105092076) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 1-(4-ethylthiadiazol-5-yl)-2-(oxan-4-yl)ethanone.

Molecular Properties

Compound Name1-(4-ethylthiadiazol-5-yl)-2-(oxan-4-yl)ethanone
PubChem CID105092076
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name1-(4-ethylthiadiazol-5-yl)-2-(oxan-4-yl)ethanone
SMILESCCc1nnsc1C(=O)CC1CCOCC1
InChIInChI=1S/C11H16N2O2S/c1-2-9-11(16-13-12-9)10(14)7-8-3-5-15-6-4-8/h8H,2-7H2,1H3
InChIKeyWMOISPAJTYJGLM-UHFFFAOYSA-N
XLogP2.10
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopentyl-1-(4-ethylthiadiazol-5-yl)ethanone
CID 105092243
1-(4-ethylthiadiazol-5-yl)-3-(oxolan-2-yl)propan-1-one
CID 105107163
(4-ethylthiadiazol-5-yl)-(oxan-4-yl)methanol
CID 105097477
4-ethylthiadiazole-5-carboxamide
CID 45084470
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(4-ethylthiadiazol-5-yl)ethanone
CID 105112446
4-ethylthiadiazole-5-carbonyl chloride
CID 18524959
(4-ethylthiadiazol-5-yl)-[(3S)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone
CID 124948128
1-(4-ethylthiadiazol-5-yl)-4,4,4-trifluorobutan-1-one
CID 105106889
[4-(bromomethyl)piperidin-1-yl]-(4-ethylthiadiazol-5-yl)methanone
CID 80678099
N-cyclopentyl-4-ethylthiadiazole-5-carboxamide
CID 51204913
[(3S,4S)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-(4-ethylthiadiazol-5-yl)methanone
CID 96996371
2-[1-(4-ethylthiadiazole-5-carbonyl)piperidin-3-yl]acetic acid
CID 65206136

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylthiadiazol-5-yl)-2-(oxan-4-yl)ethanone?
The IUPAC name of 1-(4-ethylthiadiazol-5-yl)-2-(oxan-4-yl)ethanone (CID 105092076) is 1-(4-ethylthiadiazol-5-yl)-2-(oxan-4-yl)ethanone.
What is the SMILES notation for 1-(4-ethylthiadiazol-5-yl)-2-(oxan-4-yl)ethanone?
The canonical SMILES for 1-(4-ethylthiadiazol-5-yl)-2-(oxan-4-yl)ethanone is CCc1nnsc1C(=O)CC1CCOCC1.
What is the InChIKey of 1-(4-ethylthiadiazol-5-yl)-2-(oxan-4-yl)ethanone?
The InChIKey is WMOISPAJTYJGLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-2-9-11(16-13-12-9)10(14)7-8-3-5-15-6-4-8/h8H,2-7H2,1H3.
What are the key properties of 1-(4-ethylthiadiazol-5-yl)-2-(oxan-4-yl)ethanone?
1-(4-ethylthiadiazol-5-yl)-2-(oxan-4-yl)ethanone has a molecular weight of 240.33 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylthiadiazol-5-yl)-2-(oxan-4-yl)ethanone is sourced from PubChem (CID 105092076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).