1-(3-methyl-1,2,4-thiadiazol-5-yl)ethanone

C5H6N2OS — CID 82417976

IUPAC1-(3-methyl-1,2,4-thiadiazol-5-yl)ethanone
SMILESCC(=O)c1nc(C)ns1
InChIInChI=1S/C5H6N2OS/c1-3(8)5-6-4(2)7-9-5/h1-2H3
InChIKeyNUTXCJUMSQQURC-UHFFFAOYSA-N
MW142.18 g/mol
LogP1.05
Rot. Bonds1

About 1-(3-methyl-1,2,4-thiadiazol-5-yl)ethanone

1-(3-methyl-1,2,4-thiadiazol-5-yl)ethanone (PubChem CID 82417976) has the molecular formula C5H6N2OS and a molecular weight of 142.18 g/mol. Its IUPAC name is 1-(3-methyl-1,2,4-thiadiazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(3-methyl-1,2,4-thiadiazol-5-yl)ethanone
PubChem CID82417976
Molecular FormulaC5H6N2OS
Molecular Weight142.18 g/mol
Exact Mass142.02
IUPAC Name1-(3-methyl-1,2,4-thiadiazol-5-yl)ethanone
SMILESCC(=O)c1nc(C)ns1
InChIInChI=1S/C5H6N2OS/c1-3(8)5-6-4(2)7-9-5/h1-2H3
InChIKeyNUTXCJUMSQQURC-UHFFFAOYSA-N
XLogP1.05
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.18
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-Methyl-1,2,4-thiadiazole-5-carbaldehyde
CID 28951153
Potassium 3-ethyl-1,2,4-thiadiazole-5-carboxylate
CID 165746451
3-Acetonyl-5-cyano-1,2,4-thiadiazole
CID 11084263
1-(3-Ethyl-1,2,4-thiadiazol-5-yl)propan-2-one
CID 20130490
5-Methyl-1,2,4-thiadiazole-3-carbaldehyde
CID 20649091
1-(5-Amino-1,2,4-thiadiazol-3-yl)ethanone
CID 23319479
1-[3-(Trichloromethyl)-1,2,4-thiadiazol-5-yl]ethanone
CID 56997179
1-[3-(Trichloromethyl)-1,2,4-thiadiazol-5-yl]propan-1-one
CID 57145999
2-Methyl-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)propan-1-one
CID 58407974
1-(3-Methyl-1,2,4-thiadiazol-5-yl)butan-2-one
CID 65273589
3-Ethyl-1,2,4-thiadiazole-5-carboxamide
CID 67485956
3-(2-Oxopropyl)-1,2,4-thiadiazole-5-carboxamide
CID 67486248

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-1,2,4-thiadiazol-5-yl)ethanone?
The IUPAC name of 1-(3-methyl-1,2,4-thiadiazol-5-yl)ethanone (CID 82417976) is 1-(3-methyl-1,2,4-thiadiazol-5-yl)ethanone.
What is the SMILES notation for 1-(3-methyl-1,2,4-thiadiazol-5-yl)ethanone?
The canonical SMILES for 1-(3-methyl-1,2,4-thiadiazol-5-yl)ethanone is CC(=O)c1nc(C)ns1.
What is the InChIKey of 1-(3-methyl-1,2,4-thiadiazol-5-yl)ethanone?
The InChIKey is NUTXCJUMSQQURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2OS/c1-3(8)5-6-4(2)7-9-5/h1-2H3.
What are the key properties of 1-(3-methyl-1,2,4-thiadiazol-5-yl)ethanone?
1-(3-methyl-1,2,4-thiadiazol-5-yl)ethanone has a molecular weight of 142.18 g/mol, XLogP of 1.05, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-1,2,4-thiadiazol-5-yl)ethanone is sourced from PubChem (CID 82417976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).