1-(4-ethylthiadiazol-5-yl)-3-(oxolan-2-yl)propan-1-one

C11H16N2O2S — CID 105107163

IUPAC1-(4-ethylthiadiazol-5-yl)-3-(oxolan-2-yl)propan-1-one
SMILESCCc1nnsc1C(=O)CCC1CCCO1
InChIInChI=1S/C11H16N2O2S/c1-2-9-11(16-13-12-9)10(14)6-5-8-4-3-7-15-8/h8H,2-7H2,1H3
InChIKeyZSZKIWLCEBLBBH-UHFFFAOYSA-N
MW240.33 g/mol
LogP2.24
Rot. Bonds5

About 1-(4-ethylthiadiazol-5-yl)-3-(oxolan-2-yl)propan-1-one

1-(4-ethylthiadiazol-5-yl)-3-(oxolan-2-yl)propan-1-one (PubChem CID 105107163) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 1-(4-ethylthiadiazol-5-yl)-3-(oxolan-2-yl)propan-1-one.

Molecular Properties

Compound Name1-(4-ethylthiadiazol-5-yl)-3-(oxolan-2-yl)propan-1-one
PubChem CID105107163
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name1-(4-ethylthiadiazol-5-yl)-3-(oxolan-2-yl)propan-1-one
SMILESCCc1nnsc1C(=O)CCC1CCCO1
InChIInChI=1S/C11H16N2O2S/c1-2-9-11(16-13-12-9)10(14)6-5-8-4-3-7-15-8/h8H,2-7H2,1H3
InChIKeyZSZKIWLCEBLBBH-UHFFFAOYSA-N
XLogP2.24
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-ethylthiadiazol-5-yl)-[4-[[(2S)-oxolan-2-yl]methyl]-1,4-diazepan-1-yl]methanone
CID 94083096
2-cyclopentyl-1-(4-ethylthiadiazol-5-yl)ethanone
CID 105092243
1-(4-ethylthiadiazol-5-yl)-2-(oxan-4-yl)ethanone
CID 105092076
1-(4-ethylthiadiazol-5-yl)-4-(oxolan-2-yl)butan-1-amine
CID 105156525
1-(3-bromo-5-methylthiophen-2-yl)-3-(oxolan-2-yl)propan-1-one
CID 65279852
N-cyclopentyl-4-ethylthiadiazole-5-carboxamide
CID 51204913
3-(oxolan-2-yl)-1-(2,4,5-trimethylphenyl)propan-1-one
CID 114975824
1-(3-bromo-5-methylthiophen-2-yl)-3-(oxan-2-yl)propan-1-one
CID 65279168
3-(oxolan-2-yl)-1-(3,4,5-trimethyl-1H-pyrrol-2-yl)propan-1-one
CID 65154688
3-(oxan-2-yl)-1-(4-propylphenyl)propan-1-one
CID 63952320
3-(oxolan-2-yl)-1-(2-propylpyrazol-3-yl)propan-1-one
CID 114972319
1-(4-butan-2-ylphenyl)-3-(oxolan-2-yl)propan-1-one
CID 65154915

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylthiadiazol-5-yl)-3-(oxolan-2-yl)propan-1-one?
The IUPAC name of 1-(4-ethylthiadiazol-5-yl)-3-(oxolan-2-yl)propan-1-one (CID 105107163) is 1-(4-ethylthiadiazol-5-yl)-3-(oxolan-2-yl)propan-1-one.
What is the SMILES notation for 1-(4-ethylthiadiazol-5-yl)-3-(oxolan-2-yl)propan-1-one?
The canonical SMILES for 1-(4-ethylthiadiazol-5-yl)-3-(oxolan-2-yl)propan-1-one is CCc1nnsc1C(=O)CCC1CCCO1.
What is the InChIKey of 1-(4-ethylthiadiazol-5-yl)-3-(oxolan-2-yl)propan-1-one?
The InChIKey is ZSZKIWLCEBLBBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-2-9-11(16-13-12-9)10(14)6-5-8-4-3-7-15-8/h8H,2-7H2,1H3.
What are the key properties of 1-(4-ethylthiadiazol-5-yl)-3-(oxolan-2-yl)propan-1-one?
1-(4-ethylthiadiazol-5-yl)-3-(oxolan-2-yl)propan-1-one has a molecular weight of 240.33 g/mol, XLogP of 2.24, 5 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)-3-(oxolan-2-yl)propan-1-one is sourced from PubChem (CID 105107163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).