1-benzyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide

C16H18N4O2S — CID 4883514

IUPAC1-benzyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCCc1nnc(NC(=O)C2CC(=O)N(Cc3ccccc3)C2)s1
InChIInChI=1S/C16H18N4O2S/c1-2-13-18-19-16(23-13)17-15(22)12-8-14(21)20(10-12)9-11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3,(H,17,19,22)
InChIKeySPYCHUAGKJDDDY-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.09
Rot. Bonds5

About 1-benzyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide

1-benzyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 4883514) has the molecular formula C16H18N4O2S and a molecular weight of 330.41 g/mol. Its IUPAC name is 1-benzyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID4883514
Molecular FormulaC16H18N4O2S
Molecular Weight330.41 g/mol
Exact Mass330.12
IUPAC Name1-benzyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCCc1nnc(NC(=O)C2CC(=O)N(Cc3ccccc3)C2)s1
InChIInChI=1S/C16H18N4O2S/c1-2-13-18-19-16(23-13)17-15(22)12-8-14(21)20(10-12)9-11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3,(H,17,19,22)
InChIKeySPYCHUAGKJDDDY-UHFFFAOYSA-N
XLogP2.09
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 2993497
1-[(4-fluorophenyl)methyl]-5-oxo-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide
CID 42655677
(3S)-N-(5-benzyl-1,3,4-thiadiazol-2-yl)-1-butyl-5-oxopyrrolidine-3-carboxamide
CID 9399696
1-[(4-chlorophenyl)methyl]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 45494970
(3S)-1-[(4-chlorophenyl)methyl]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 39039277
(3R)-5-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 38484906
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 6463897
(3R)-N-(1,3-benzothiazol-2-yl)-1-benzyl-5-oxopyrrolidine-3-carboxamide
CID 8882783
(3S)-1-benzyl-N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 26362758
(3R)-N-(5-benzyl-1,3,4-thiadiazol-2-yl)-1-tert-butyl-5-oxopyrrolidine-3-carboxamide
CID 9352606
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 45491265
(3S)-1-benzyl-N-(6-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 29137132

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-benzyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide (CID 4883514) is 1-benzyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide is CCc1nnc(NC(=O)C2CC(=O)N(Cc3ccccc3)C2)s1.
What is the InChIKey of 1-benzyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is SPYCHUAGKJDDDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2S/c1-2-13-18-19-16(23-13)17-15(22)12-8-14(21)20(10-12)9-11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3,(H,17,19,22).
What are the key properties of 1-benzyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide?
1-benzyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 330.41 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 4883514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).