1-(4-tert-butylthiadiazol-5-yl)-2-(1-methyltriazol-4-yl)ethanone

C11H15N5OS — CID 107062904

IUPAC1-(4-tert-butylthiadiazol-5-yl)-2-(1-methyltriazol-4-yl)ethanone
SMILESCn1cc(CC(=O)c2snnc2C(C)(C)C)nn1
InChIInChI=1S/C11H15N5OS/c1-11(2,3)10-9(18-15-13-10)8(17)5-7-6-16(4)14-12-7/h6H,5H2,1-4H3
InChIKeyGAXBYODENZZMRK-UHFFFAOYSA-N
MW265.34 g/mol
LogP1.39
Rot. Bonds3

About 1-(4-tert-butylthiadiazol-5-yl)-2-(1-methyltriazol-4-yl)ethanone

1-(4-tert-butylthiadiazol-5-yl)-2-(1-methyltriazol-4-yl)ethanone (PubChem CID 107062904) has the molecular formula C11H15N5OS and a molecular weight of 265.34 g/mol. Its IUPAC name is 1-(4-tert-butylthiadiazol-5-yl)-2-(1-methyltriazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(4-tert-butylthiadiazol-5-yl)-2-(1-methyltriazol-4-yl)ethanone
PubChem CID107062904
Molecular FormulaC11H15N5OS
Molecular Weight265.34 g/mol
Exact Mass265.10
IUPAC Name1-(4-tert-butylthiadiazol-5-yl)-2-(1-methyltriazol-4-yl)ethanone
SMILESCn1cc(CC(=O)c2snnc2C(C)(C)C)nn1
InChIInChI=1S/C11H15N5OS/c1-11(2,3)10-9(18-15-13-10)8(17)5-7-6-16(4)14-12-7/h6H,5H2,1-4H3
InChIKeyGAXBYODENZZMRK-UHFFFAOYSA-N
XLogP1.39
TPSA73.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(4-methylthiadiazol-5-yl)-2-(1-methyltriazol-4-yl)ethanone
CID 107062722
2-(1-methyltriazol-4-yl)-1-(4-propylthiadiazol-5-yl)ethanone
CID 107063006
3-amino-3-methyl-1-(1-methyltriazol-4-yl)butan-2-one
CID 107061890
1-(4-tert-butylthiadiazol-5-yl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone
CID 105109961
2-(1-methyltriazol-4-yl)-1-(thiadiazol-4-yl)ethanone
CID 107062878
2-(1-methyltriazol-4-yl)acetic acid
CID 58281215
2-(1-methyltriazol-4-yl)-1-phenylethanone
CID 107046867
1-(1,3-dimethylpyrazol-4-yl)-2-(1-methyltriazol-4-yl)ethanone
CID 107063008
1-(4-tert-butylthiadiazol-5-yl)-4-methylpentan-1-one
CID 105087003
1-(4-tert-butylthiadiazol-5-yl)-5,5-dimethylhexan-1-one
CID 114210800
1-(4-tert-butylthiadiazol-5-yl)nonan-1-one
CID 105087241
1-(4-tert-butylthiadiazol-5-yl)-2-(5-fluoro-2-methylphenyl)ethanone
CID 105376814

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylthiadiazol-5-yl)-2-(1-methyltriazol-4-yl)ethanone?
The IUPAC name of 1-(4-tert-butylthiadiazol-5-yl)-2-(1-methyltriazol-4-yl)ethanone (CID 107062904) is 1-(4-tert-butylthiadiazol-5-yl)-2-(1-methyltriazol-4-yl)ethanone.
What is the SMILES notation for 1-(4-tert-butylthiadiazol-5-yl)-2-(1-methyltriazol-4-yl)ethanone?
The canonical SMILES for 1-(4-tert-butylthiadiazol-5-yl)-2-(1-methyltriazol-4-yl)ethanone is Cn1cc(CC(=O)c2snnc2C(C)(C)C)nn1.
What is the InChIKey of 1-(4-tert-butylthiadiazol-5-yl)-2-(1-methyltriazol-4-yl)ethanone?
The InChIKey is GAXBYODENZZMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5OS/c1-11(2,3)10-9(18-15-13-10)8(17)5-7-6-16(4)14-12-7/h6H,5H2,1-4H3.
What are the key properties of 1-(4-tert-butylthiadiazol-5-yl)-2-(1-methyltriazol-4-yl)ethanone?
1-(4-tert-butylthiadiazol-5-yl)-2-(1-methyltriazol-4-yl)ethanone has a molecular weight of 265.34 g/mol, XLogP of 1.39, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylthiadiazol-5-yl)-2-(1-methyltriazol-4-yl)ethanone is sourced from PubChem (CID 107062904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).