1-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-[(2R,5S)-2,5-dimethylpyrrolidine-1-carbonyl]pyrrolidin-2-one

C20H24N4O2S — CID 155494838

IUPAC1-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-[(2R,5S)-2,5-dimethylpyrrolidine-1-carbonyl]pyrrolidin-2-one
SMILESC[C@@H]1CC[C@H](C)N1C(=O)C1CC(=O)N(c2nnc(Cc3ccccc3)s2)C1
InChIInChI=1S/C20H24N4O2S/c1-13-8-9-14(2)24(13)19(26)16-11-18(25)23(12-16)20-22-21-17(27-20)10-15-6-4-3-5-7-15/h3-7,13-14,16H,8-12H2,1-2H3/t13-,14+,16?
InChIKeyZRAHSRFGGOMKDQ-MZBDJJRSSA-N
MW384.51 g/mol
LogP2.88
Rot. Bonds4

About 1-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-[(2R,5S)-2,5-dimethylpyrrolidine-1-carbonyl]pyrrolidin-2-one

1-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-[(2R,5S)-2,5-dimethylpyrrolidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 155494838) has the molecular formula C20H24N4O2S and a molecular weight of 384.51 g/mol. Its IUPAC name is 1-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-[(2R,5S)-2,5-dimethylpyrrolidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-[(2R,5S)-2,5-dimethylpyrrolidine-1-carbonyl]pyrrolidin-2-one
PubChem CID155494838
Molecular FormulaC20H24N4O2S
Molecular Weight384.51 g/mol
Exact Mass384.16
IUPAC Name1-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-[(2R,5S)-2,5-dimethylpyrrolidine-1-carbonyl]pyrrolidin-2-one
SMILESC[C@@H]1CC[C@H](C)N1C(=O)C1CC(=O)N(c2nnc(Cc3ccccc3)s2)C1
InChIInChI=1S/C20H24N4O2S/c1-13-8-9-14(2)24(13)19(26)16-11-18(25)23(12-16)20-22-21-17(27-20)10-15-6-4-3-5-7-15/h3-7,13-14,16H,8-12H2,1-2H3/t13-,14+,16?
InChIKeyZRAHSRFGGOMKDQ-MZBDJJRSSA-N
XLogP2.88
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.51
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-benzyl-1,3,4-thiadiazol-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 154564563
N-[(2-amino-3-pyridinyl)methyl]-1-(5-benzyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide;formic acid
CID 155939519
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17120937
1-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[3-(2-methylphenoxy)azetidine-1-carbonyl]pyrrolidin-2-one
CID 155492947
1-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxylic acid
CID 168690491
4-[1-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carbonyl]-1-phenylpiperazin-2-one
CID 154563661
4-(4-azatricyclo[4.3.1.13,8]undecane-4-carbonyl)-1-(5-ethyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-one
CID 154564819
4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one
CID 154564093
4-(3-hydroxyazetidine-1-carbonyl)-1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one
CID 154821567
(3R)-N-(5-benzyl-1,3,4-thiadiazol-2-yl)-1-tert-butyl-5-oxopyrrolidine-3-carboxamide
CID 9352606
methyl 1-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxylate
CID 168692984
methyl 1-(5-butyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxylate
CID 168693081

Frequently Asked Questions

What is the IUPAC name of 1-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-[(2R,5S)-2,5-dimethylpyrrolidine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of 1-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-[(2R,5S)-2,5-dimethylpyrrolidine-1-carbonyl]pyrrolidin-2-one (CID 155494838) is 1-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-[(2R,5S)-2,5-dimethylpyrrolidine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 1-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-[(2R,5S)-2,5-dimethylpyrrolidine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 1-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-[(2R,5S)-2,5-dimethylpyrrolidine-1-carbonyl]pyrrolidin-2-one is C[C@@H]1CC[C@H](C)N1C(=O)C1CC(=O)N(c2nnc(Cc3ccccc3)s2)C1.
What is the InChIKey of 1-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-[(2R,5S)-2,5-dimethylpyrrolidine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is ZRAHSRFGGOMKDQ-MZBDJJRSSA-N. The full InChI is InChI=1S/C20H24N4O2S/c1-13-8-9-14(2)24(13)19(26)16-11-18(25)23(12-16)20-22-21-17(27-20)10-15-6-4-3-5-7-15/h3-7,13-14,16H,8-12H2,1-2H3/t13-,14+,16?.
What are the key properties of 1-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-[(2R,5S)-2,5-dimethylpyrrolidine-1-carbonyl]pyrrolidin-2-one?
1-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-[(2R,5S)-2,5-dimethylpyrrolidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 384.51 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-[(2R,5S)-2,5-dimethylpyrrolidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 155494838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).