1-(4-ethylthiadiazol-5-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanone

C11H15N5OS — CID 105110386

IUPAC1-(4-ethylthiadiazol-5-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanone
SMILESCCc1nnsc1C(=O)Cc1ncnn1C(C)C
InChIInChI=1S/C11H15N5OS/c1-4-8-11(18-15-14-8)9(17)5-10-12-6-13-16(10)7(2)3/h6-7H,4-5H2,1-3H3
InChIKeyOYVKKZOMRIHCHD-UHFFFAOYSA-N
MW265.34 g/mol
LogP1.70
Rot. Bonds5

About 1-(4-ethylthiadiazol-5-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanone

1-(4-ethylthiadiazol-5-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanone (PubChem CID 105110386) has the molecular formula C11H15N5OS and a molecular weight of 265.34 g/mol. Its IUPAC name is 1-(4-ethylthiadiazol-5-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanone.

Molecular Properties

Compound Name1-(4-ethylthiadiazol-5-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanone
PubChem CID105110386
Molecular FormulaC11H15N5OS
Molecular Weight265.34 g/mol
Exact Mass265.10
IUPAC Name1-(4-ethylthiadiazol-5-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanone
SMILESCCc1nnsc1C(=O)Cc1ncnn1C(C)C
InChIInChI=1S/C11H15N5OS/c1-4-8-11(18-15-14-8)9(17)5-10-12-6-13-16(10)7(2)3/h6-7H,4-5H2,1-3H3
InChIKeyOYVKKZOMRIHCHD-UHFFFAOYSA-N
XLogP1.70
TPSA73.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-1-(4-propylthiadiazol-5-yl)ethanone
CID 105110575
3-amino-4-methoxy-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-one
CID 116594219
1-(4-ethylthiadiazol-5-yl)-4,4,4-trifluorobutan-1-one
CID 105106889
3-ethyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)pent-3-en-2-one
CID 103447395
1-(4-ethylthiadiazol-5-yl)-2-pyridin-2-ylethanone
CID 105108103
1,1-dimethoxy-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-one
CID 79493427
1-(4-ethylthiadiazol-5-yl)-2-thiophen-3-ylethanone
CID 105091135
1-(2-propan-2-yl-1,2,4-triazol-3-yl)butane-2,3-diol
CID 103452773
1-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanone
CID 114981503
1-(2,4-dichlorophenyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanone
CID 114981292
2-(2,5-dimethylphenyl)-1-(4-ethylthiadiazol-5-yl)ethanone
CID 105081673
4-ethylthiadiazole-5-carboxamide
CID 45084470

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylthiadiazol-5-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanone?
The IUPAC name of 1-(4-ethylthiadiazol-5-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanone (CID 105110386) is 1-(4-ethylthiadiazol-5-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanone.
What is the SMILES notation for 1-(4-ethylthiadiazol-5-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanone?
The canonical SMILES for 1-(4-ethylthiadiazol-5-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanone is CCc1nnsc1C(=O)Cc1ncnn1C(C)C.
What is the InChIKey of 1-(4-ethylthiadiazol-5-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanone?
The InChIKey is OYVKKZOMRIHCHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5OS/c1-4-8-11(18-15-14-8)9(17)5-10-12-6-13-16(10)7(2)3/h6-7H,4-5H2,1-3H3.
What are the key properties of 1-(4-ethylthiadiazol-5-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanone?
1-(4-ethylthiadiazol-5-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanone has a molecular weight of 265.34 g/mol, XLogP of 1.70, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylthiadiazol-5-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanone is sourced from PubChem (CID 105110386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).