1-(2-methyloxan-2-yl)-2-(thiadiazol-4-yl)ethanone

C10H14N2O2S — CID 130550325

IUPAC1-(2-methyloxan-2-yl)-2-(thiadiazol-4-yl)ethanone
SMILESCC1(C(=O)Cc2csnn2)CCCCO1
InChIInChI=1S/C10H14N2O2S/c1-10(4-2-3-5-14-10)9(13)6-8-7-15-12-11-8/h7H,2-6H2,1H3
InChIKeyOPJUJNOOVIWDBU-UHFFFAOYSA-N
MW226.30 g/mol
LogP1.61
Rot. Bonds3

About 1-(2-methyloxan-2-yl)-2-(thiadiazol-4-yl)ethanone

1-(2-methyloxan-2-yl)-2-(thiadiazol-4-yl)ethanone (PubChem CID 130550325) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is 1-(2-methyloxan-2-yl)-2-(thiadiazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(2-methyloxan-2-yl)-2-(thiadiazol-4-yl)ethanone
PubChem CID130550325
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Name1-(2-methyloxan-2-yl)-2-(thiadiazol-4-yl)ethanone
SMILESCC1(C(=O)Cc2csnn2)CCCCO1
InChIInChI=1S/C10H14N2O2S/c1-10(4-2-3-5-14-10)9(13)6-8-7-15-12-11-8/h7H,2-6H2,1H3
InChIKeyOPJUJNOOVIWDBU-UHFFFAOYSA-N
XLogP1.61
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyloxan-2-yl)-2-(thiadiazol-4-yl)ethanone?
The IUPAC name of 1-(2-methyloxan-2-yl)-2-(thiadiazol-4-yl)ethanone (CID 130550325) is 1-(2-methyloxan-2-yl)-2-(thiadiazol-4-yl)ethanone.
What is the SMILES notation for 1-(2-methyloxan-2-yl)-2-(thiadiazol-4-yl)ethanone?
The canonical SMILES for 1-(2-methyloxan-2-yl)-2-(thiadiazol-4-yl)ethanone is CC1(C(=O)Cc2csnn2)CCCCO1.
What is the InChIKey of 1-(2-methyloxan-2-yl)-2-(thiadiazol-4-yl)ethanone?
The InChIKey is OPJUJNOOVIWDBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c1-10(4-2-3-5-14-10)9(13)6-8-7-15-12-11-8/h7H,2-6H2,1H3.
What are the key properties of 1-(2-methyloxan-2-yl)-2-(thiadiazol-4-yl)ethanone?
1-(2-methyloxan-2-yl)-2-(thiadiazol-4-yl)ethanone has a molecular weight of 226.30 g/mol, XLogP of 1.61, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyloxan-2-yl)-2-(thiadiazol-4-yl)ethanone is sourced from PubChem (CID 130550325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).