2-(2-oxo-1,3,4-thiadiazol-3-yl)-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide

C15H18N4O2S — CID 102562250

IUPAC2-(2-oxo-1,3,4-thiadiazol-3-yl)-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide
SMILESO=C(Cn1ncsc1=O)NCC1CCN(c2ccccc2)C1
InChIInChI=1S/C15H18N4O2S/c20-14(10-19-15(21)22-11-17-19)16-8-12-6-7-18(9-12)13-4-2-1-3-5-13/h1-5,11-12H,6-10H2,(H,16,20)
InChIKeyJVESJHWZDIYFIF-UHFFFAOYSA-N
MW318.40 g/mol
LogP0.95
Rot. Bonds5

About 2-(2-oxo-1,3,4-thiadiazol-3-yl)-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide

2-(2-oxo-1,3,4-thiadiazol-3-yl)-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide (PubChem CID 102562250) has the molecular formula C15H18N4O2S and a molecular weight of 318.40 g/mol. Its IUPAC name is 2-(2-oxo-1,3,4-thiadiazol-3-yl)-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-oxo-1,3,4-thiadiazol-3-yl)-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide
PubChem CID102562250
Molecular FormulaC15H18N4O2S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC Name2-(2-oxo-1,3,4-thiadiazol-3-yl)-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide
SMILESO=C(Cn1ncsc1=O)NCC1CCN(c2ccccc2)C1
InChIInChI=1S/C15H18N4O2S/c20-14(10-19-15(21)22-11-17-19)16-8-12-6-7-18(9-12)13-4-2-1-3-5-13/h1-5,11-12H,6-10H2,(H,16,20)
InChIKeyJVESJHWZDIYFIF-UHFFFAOYSA-N
XLogP0.95
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(cyclopropylmethyl)-2-(2-oxo-1,3,4-thiadiazol-3-yl)acetamide
CID 86801037
2-(4-methyl-1-oxophthalazin-2-yl)-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide
CID 55652171
2-(4-oxoquinazolin-3-yl)-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide
CID 46403234
2-[(2R)-2-phenylpyrrolidin-1-yl]-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]acetamide
CID 124786505
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]acetamide
CID 94382188
2-[(2R)-2-benzylpyrrolidin-1-yl]-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]acetamide
CID 124787391
2-(2-hydroxyphenyl)sulfanyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]acetamide
CID 97220298
1-methyl-3-[(1-phenylpyrrolidin-3-yl)methyl]urea
CID 20827758
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]acetamide
CID 94382297
N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-2-[(2R)-2-propan-2-ylpyrrolidin-1-yl]acetamide
CID 95143982
2-(4-aminophenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide;dihydrochloride
CID 119854864
2-[(1S)-cyclopent-2-en-1-yl]-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]acetamide
CID 51939102

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-1,3,4-thiadiazol-3-yl)-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide?
The IUPAC name of 2-(2-oxo-1,3,4-thiadiazol-3-yl)-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide (CID 102562250) is 2-(2-oxo-1,3,4-thiadiazol-3-yl)-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide.
What is the SMILES notation for 2-(2-oxo-1,3,4-thiadiazol-3-yl)-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide?
The canonical SMILES for 2-(2-oxo-1,3,4-thiadiazol-3-yl)-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide is O=C(Cn1ncsc1=O)NCC1CCN(c2ccccc2)C1.
What is the InChIKey of 2-(2-oxo-1,3,4-thiadiazol-3-yl)-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide?
The InChIKey is JVESJHWZDIYFIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2S/c20-14(10-19-15(21)22-11-17-19)16-8-12-6-7-18(9-12)13-4-2-1-3-5-13/h1-5,11-12H,6-10H2,(H,16,20).
What are the key properties of 2-(2-oxo-1,3,4-thiadiazol-3-yl)-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide?
2-(2-oxo-1,3,4-thiadiazol-3-yl)-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide has a molecular weight of 318.40 g/mol, XLogP of 0.95, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-1,3,4-thiadiazol-3-yl)-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide is sourced from PubChem (CID 102562250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).