2-ethyl-2-methyl-1-(4-methylthiadiazol-5-yl)hexan-1-one

C12H20N2OS — CID 167246020

IUPAC2-ethyl-2-methyl-1-(4-methylthiadiazol-5-yl)hexan-1-one
SMILESCCCCC(C)(CC)C(=O)c1snnc1C
InChIInChI=1S/C12H20N2OS/c1-5-7-8-12(4,6-2)11(15)10-9(3)13-14-16-10/h5-8H2,1-4H3
InChIKeyGIJXBNZJSDNAOJ-UHFFFAOYSA-N
MW240.37 g/mol
LogP3.64
Rot. Bonds6

About 2-ethyl-2-methyl-1-(4-methylthiadiazol-5-yl)hexan-1-one

2-ethyl-2-methyl-1-(4-methylthiadiazol-5-yl)hexan-1-one (PubChem CID 167246020) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 2-ethyl-2-methyl-1-(4-methylthiadiazol-5-yl)hexan-1-one.

Molecular Properties

Compound Name2-ethyl-2-methyl-1-(4-methylthiadiazol-5-yl)hexan-1-one
PubChem CID167246020
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name2-ethyl-2-methyl-1-(4-methylthiadiazol-5-yl)hexan-1-one
SMILESCCCCC(C)(CC)C(=O)c1snnc1C
InChIInChI=1S/C12H20N2OS/c1-5-7-8-12(4,6-2)11(15)10-9(3)13-14-16-10/h5-8H2,1-4H3
InChIKeyGIJXBNZJSDNAOJ-UHFFFAOYSA-N
XLogP3.64
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-Cyclopropyl-1,2,3-thiadiazol-5-yl)ethan-1-one
CID 59432060
4,4,4-Trifluoro-1-(4-propylthiadiazol-5-yl)butan-1-one
CID 105106787
1-(4-Tert-butylthiadiazol-5-yl)-4,4,4-trifluorobutan-1-one
CID 105106810
4,4,4-Trifluoro-1-(4-propan-2-ylthiadiazol-5-yl)butan-1-one
CID 105106888
1-(4-Ethylthiadiazol-5-yl)-4,4,4-trifluorobutan-1-one
CID 105106889
5,5,5-Trifluoro-1-(4-propylthiadiazol-5-yl)pentan-1-one
CID 105123272
5,5,5-Trifluoro-1-(4-methylthiadiazol-5-yl)pentan-1-one
CID 105123294
1-(4-Tert-butylthiadiazol-5-yl)-5,5,5-trifluoropentan-1-one
CID 105123305
5,5,5-Trifluoro-1-(4-propan-2-ylthiadiazol-5-yl)pentan-1-one
CID 105123403
1-(4-Ethylthiadiazol-5-yl)-5,5,5-trifluoropentan-1-one
CID 105123405
1-(4-Tert-butylthiadiazol-5-yl)-2-(3,3-difluorocyclopentyl)ethanone
CID 114225617
2-(3,3-Difluorocyclopentyl)-1-(4-propylthiadiazol-5-yl)ethanone
CID 114225634

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-methyl-1-(4-methylthiadiazol-5-yl)hexan-1-one?
The IUPAC name of 2-ethyl-2-methyl-1-(4-methylthiadiazol-5-yl)hexan-1-one (CID 167246020) is 2-ethyl-2-methyl-1-(4-methylthiadiazol-5-yl)hexan-1-one.
What is the SMILES notation for 2-ethyl-2-methyl-1-(4-methylthiadiazol-5-yl)hexan-1-one?
The canonical SMILES for 2-ethyl-2-methyl-1-(4-methylthiadiazol-5-yl)hexan-1-one is CCCCC(C)(CC)C(=O)c1snnc1C.
What is the InChIKey of 2-ethyl-2-methyl-1-(4-methylthiadiazol-5-yl)hexan-1-one?
The InChIKey is GIJXBNZJSDNAOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-5-7-8-12(4,6-2)11(15)10-9(3)13-14-16-10/h5-8H2,1-4H3.
What are the key properties of 2-ethyl-2-methyl-1-(4-methylthiadiazol-5-yl)hexan-1-one?
2-ethyl-2-methyl-1-(4-methylthiadiazol-5-yl)hexan-1-one has a molecular weight of 240.37 g/mol, XLogP of 3.64, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-methyl-1-(4-methylthiadiazol-5-yl)hexan-1-one is sourced from PubChem (CID 167246020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).