2-(1,3-dioxoisoindol-2-yl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide

C16H14N4O4S — CID 2959424

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESO=C(CN1C(=O)c2ccccc2C1=O)Nc1nnc(C2CCCO2)s1
InChIInChI=1S/C16H14N4O4S/c21-12(17-16-19-18-13(25-16)11-6-3-7-24-11)8-20-14(22)9-4-1-2-5-10(9)15(20)23/h1-2,4-5,11H,3,6-8H2,(H,17,19,21)
InChIKeyNBYULXHFBAJQMO-UHFFFAOYSA-N
MW358.38 g/mol
LogP1.62
Rot. Bonds4

About 2-(1,3-dioxoisoindol-2-yl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide

2-(1,3-dioxoisoindol-2-yl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 2959424) has the molecular formula C16H14N4O4S and a molecular weight of 358.38 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID2959424
Molecular FormulaC16H14N4O4S
Molecular Weight358.38 g/mol
Exact Mass358.07
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESO=C(CN1C(=O)c2ccccc2C1=O)Nc1nnc(C2CCCO2)s1
InChIInChI=1S/C16H14N4O4S/c21-12(17-16-19-18-13(25-16)11-6-3-7-24-11)8-20-14(22)9-4-1-2-5-10(9)15(20)23/h1-2,4-5,11H,3,6-8H2,(H,17,19,21)
InChIKeyNBYULXHFBAJQMO-UHFFFAOYSA-N
XLogP1.62
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.38
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide
CID 56761808
2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide
CID 84572068
N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 51720272
N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 124842295
1-[2-oxo-2-[[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]amino]ethyl]piperidine-4-carboxamide
CID 50959780
1-[2-oxo-2-[[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]amino]ethyl]piperidine-4-carboxamide
CID 95125307
N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]benzamide
CID 734593
2-[(3S)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]acetamide
CID 97265300
N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]acetamide
CID 124749946
2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide
CID 56761190
N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]acetamide
CID 124749945
N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]pentanamide
CID 19183928

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide (CID 2959424) is 2-(1,3-dioxoisoindol-2-yl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide is O=C(CN1C(=O)c2ccccc2C1=O)Nc1nnc(C2CCCO2)s1.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is NBYULXHFBAJQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O4S/c21-12(17-16-19-18-13(25-16)11-6-3-7-24-11)8-20-14(22)9-4-1-2-5-10(9)15(20)23/h1-2,4-5,11H,3,6-8H2,(H,17,19,21).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide?
2-(1,3-dioxoisoindol-2-yl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 358.38 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 2959424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).