2-(oxan-4-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanone

C12H18N2O2S — CID 105092075

IUPAC2-(oxan-4-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanone
SMILESCC(C)c1nnsc1C(=O)CC1CCOCC1
InChIInChI=1S/C12H18N2O2S/c1-8(2)11-12(17-14-13-11)10(15)7-9-3-5-16-6-4-9/h8-9H,3-7H2,1-2H3
InChIKeyCKRIASKGRQVSGW-UHFFFAOYSA-N
MW254.35 g/mol
LogP2.66
Rot. Bonds4

About 2-(oxan-4-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanone

2-(oxan-4-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanone (PubChem CID 105092075) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 2-(oxan-4-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanone.

Molecular Properties

Compound Name2-(oxan-4-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanone
PubChem CID105092075
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name2-(oxan-4-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanone
SMILESCC(C)c1nnsc1C(=O)CC1CCOCC1
InChIInChI=1S/C12H18N2O2S/c1-8(2)11-12(17-14-13-11)10(15)7-9-3-5-16-6-4-9/h8-9H,3-7H2,1-2H3
InChIKeyCKRIASKGRQVSGW-UHFFFAOYSA-N
XLogP2.66
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanone?
The IUPAC name of 2-(oxan-4-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanone (CID 105092075) is 2-(oxan-4-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanone.
What is the SMILES notation for 2-(oxan-4-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanone?
The canonical SMILES for 2-(oxan-4-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanone is CC(C)c1nnsc1C(=O)CC1CCOCC1.
What is the InChIKey of 2-(oxan-4-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanone?
The InChIKey is CKRIASKGRQVSGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-8(2)11-12(17-14-13-11)10(15)7-9-3-5-16-6-4-9/h8-9H,3-7H2,1-2H3.
What are the key properties of 2-(oxan-4-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanone?
2-(oxan-4-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanone has a molecular weight of 254.35 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanone is sourced from PubChem (CID 105092075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).