1-(4-methylthiadiazol-5-yl)-2-(1-methyltriazol-4-yl)ethanone

C8H9N5OS — CID 107062722

IUPAC1-(4-methylthiadiazol-5-yl)-2-(1-methyltriazol-4-yl)ethanone
SMILESCc1nnsc1C(=O)Cc1cn(C)nn1
InChIInChI=1S/C8H9N5OS/c1-5-8(15-12-9-5)7(14)3-6-4-13(2)11-10-6/h4H,3H2,1-2H3
InChIKeyIOBBJNAJEICHHS-UHFFFAOYSA-N
MW223.26 g/mol
LogP0.40
Rot. Bonds3

About 1-(4-methylthiadiazol-5-yl)-2-(1-methyltriazol-4-yl)ethanone

1-(4-methylthiadiazol-5-yl)-2-(1-methyltriazol-4-yl)ethanone (PubChem CID 107062722) has the molecular formula C8H9N5OS and a molecular weight of 223.26 g/mol. Its IUPAC name is 1-(4-methylthiadiazol-5-yl)-2-(1-methyltriazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(4-methylthiadiazol-5-yl)-2-(1-methyltriazol-4-yl)ethanone
PubChem CID107062722
Molecular FormulaC8H9N5OS
Molecular Weight223.26 g/mol
Exact Mass223.05
IUPAC Name1-(4-methylthiadiazol-5-yl)-2-(1-methyltriazol-4-yl)ethanone
SMILESCc1nnsc1C(=O)Cc1cn(C)nn1
InChIInChI=1S/C8H9N5OS/c1-5-8(15-12-9-5)7(14)3-6-4-13(2)11-10-6/h4H,3H2,1-2H3
InChIKeyIOBBJNAJEICHHS-UHFFFAOYSA-N
XLogP0.40
TPSA73.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.26
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(4-tert-butylthiadiazol-5-yl)-2-(1-methyltriazol-4-yl)ethanone
CID 107062904
2-(1-methyltriazol-4-yl)-1-(4-propylthiadiazol-5-yl)ethanone
CID 107063006
1-(1,3-dimethylpyrazol-4-yl)-2-(1-methyltriazol-4-yl)ethanone
CID 107063008
2-(1-methyltriazol-4-yl)-1-(thiadiazol-4-yl)ethanone
CID 107062878
2-(1-methyltriazol-4-yl)acetic acid
CID 58281215
3-amino-3-methyl-1-(1-methyltriazol-4-yl)butan-2-one
CID 107061890
2-(1-methyltriazol-4-yl)-1-phenylethanone
CID 107046867
2-(2-methylphenyl)-1-(4-methylthiadiazol-5-yl)ethanone
CID 105079495
1-(5-chlorothiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanone
CID 107063130
1-(2,5-dimethylfuran-3-yl)-2-(1-methyltriazol-4-yl)ethanone
CID 107062798
2-bromo-1-(4-methylthiadiazol-5-yl)ethanone;hydrobromide
CID 23003557
3-methyl-1-(1-methyltriazol-4-yl)but-3-en-2-one
CID 107047590

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylthiadiazol-5-yl)-2-(1-methyltriazol-4-yl)ethanone?
The IUPAC name of 1-(4-methylthiadiazol-5-yl)-2-(1-methyltriazol-4-yl)ethanone (CID 107062722) is 1-(4-methylthiadiazol-5-yl)-2-(1-methyltriazol-4-yl)ethanone.
What is the SMILES notation for 1-(4-methylthiadiazol-5-yl)-2-(1-methyltriazol-4-yl)ethanone?
The canonical SMILES for 1-(4-methylthiadiazol-5-yl)-2-(1-methyltriazol-4-yl)ethanone is Cc1nnsc1C(=O)Cc1cn(C)nn1.
What is the InChIKey of 1-(4-methylthiadiazol-5-yl)-2-(1-methyltriazol-4-yl)ethanone?
The InChIKey is IOBBJNAJEICHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5OS/c1-5-8(15-12-9-5)7(14)3-6-4-13(2)11-10-6/h4H,3H2,1-2H3.
What are the key properties of 1-(4-methylthiadiazol-5-yl)-2-(1-methyltriazol-4-yl)ethanone?
1-(4-methylthiadiazol-5-yl)-2-(1-methyltriazol-4-yl)ethanone has a molecular weight of 223.26 g/mol, XLogP of 0.40, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylthiadiazol-5-yl)-2-(1-methyltriazol-4-yl)ethanone is sourced from PubChem (CID 107062722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).