1-(2-methylfuran-3-yl)-2-(1,2,5-thiadiazol-3-yl)ethanone

C9H8N2O2S — CID 131219610

IUPAC1-(2-methylfuran-3-yl)-2-(1,2,5-thiadiazol-3-yl)ethanone
SMILESCc1occc1C(=O)Cc1cnsn1
InChIInChI=1S/C9H8N2O2S/c1-6-8(2-3-13-6)9(12)4-7-5-10-14-11-7/h2-3,5H,4H2,1H3
InChIKeyIJGPJVHQVLUSTJ-UHFFFAOYSA-N
MW208.24 g/mol
LogP1.86
Rot. Bonds3

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

1-(2-methylfuran-3-yl)-2-(1,2,5-thiadiazol-3-yl)ethanone (PubChem CID 131219610) has the molecular formula C9H8N2O2S and a molecular weight of 208.24 g/mol. Its IUPAC name is 1-(2-methylfuran-3-yl)-2-(1,2,5-thiadiazol-3-yl)ethanone.

Molecular Properties

Compound Name1-(2-methylfuran-3-yl)-2-(1,2,5-thiadiazol-3-yl)ethanone
PubChem CID131219610
Molecular FormulaC9H8N2O2S
Molecular Weight208.24 g/mol
Exact Mass208.03
IUPAC Name1-(2-methylfuran-3-yl)-2-(1,2,5-thiadiazol-3-yl)ethanone
SMILESCc1occc1C(=O)Cc1cnsn1
InChIInChI=1S/C9H8N2O2S/c1-6-8(2-3-13-6)9(12)4-7-5-10-14-11-7/h2-3,5H,4H2,1H3
InChIKeyIJGPJVHQVLUSTJ-UHFFFAOYSA-N
XLogP1.86
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methylfuran-3-yl)-2-(3,4,5-trimethylphenyl)ethanone
CID 165037086
1-(2-methylfuran-3-yl)-2-(2,4,6-trimethylphenyl)ethanone
CID 104789347
2-iodo-1-(2-methylfuran-3-yl)ethanone
CID 89341465
2-bromo-1-(2-methylfuran-3-yl)ethanone
CID 75360830
2-(4-amino-3-pyridinyl)-1-(2-methylfuran-3-yl)ethanone
CID 104789293
1-(5-chloro-2-pyridinyl)-2-(1,2,5-thiadiazol-3-yl)ethanone
CID 130943487
2-(1H-imidazol-2-yl)-1-(2-methylfuran-3-yl)ethanone
CID 43463678
2-(2,3-dihydro-1H-inden-5-yl)-1-(2-methylfuran-3-yl)ethanone
CID 113453266
1-(2-methylfuran-3-yl)pent-3-yn-1-one
CID 104789229
1-(2-chlorofuran-3-yl)-2-(3,5-dimethylphenyl)ethanone
CID 106690860
2-methyl-1-(2-methylfuran-3-yl)propan-1-one
CID 104789309
1-(2-methylfuran-3-yl)pent-4-yn-1-one
CID 104789266

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylfuran-3-yl)-2-(1,2,5-thiadiazol-3-yl)ethanone?
The IUPAC name of 1-(2-methylfuran-3-yl)-2-(1,2,5-thiadiazol-3-yl)ethanone (CID 131219610) is 1-(2-methylfuran-3-yl)-2-(1,2,5-thiadiazol-3-yl)ethanone.
What is the SMILES notation for 1-(2-methylfuran-3-yl)-2-(1,2,5-thiadiazol-3-yl)ethanone?
The canonical SMILES for 1-(2-methylfuran-3-yl)-2-(1,2,5-thiadiazol-3-yl)ethanone is Cc1occc1C(=O)Cc1cnsn1.
What is the InChIKey of 1-(2-methylfuran-3-yl)-2-(1,2,5-thiadiazol-3-yl)ethanone?
The InChIKey is IJGPJVHQVLUSTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2S/c1-6-8(2-3-13-6)9(12)4-7-5-10-14-11-7/h2-3,5H,4H2,1H3.
What are the key properties of 1-(2-methylfuran-3-yl)-2-(1,2,5-thiadiazol-3-yl)ethanone?
1-(2-methylfuran-3-yl)-2-(1,2,5-thiadiazol-3-yl)ethanone has a molecular weight of 208.24 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylfuran-3-yl)-2-(1,2,5-thiadiazol-3-yl)ethanone is sourced from PubChem (CID 131219610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).