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

C18H22N4O2S — CID 24818097

IUPAC1-benzyl-N-(5-butyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCCCCc1nnc(NC(=O)C2CC(=O)N(Cc3ccccc3)C2)s1
InChIInChI=1S/C18H22N4O2S/c1-2-3-9-15-20-21-18(25-15)19-17(24)14-10-16(23)22(12-14)11-13-7-5-4-6-8-13/h4-8,14H,2-3,9-12H2,1H3,(H,19,21,24)
InChIKeyDSSVCLAIILWLKD-UHFFFAOYSA-N
MW358.47 g/mol
LogP2.87
Rot. Bonds7

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

1-benzyl-N-(5-butyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 24818097) has the molecular formula C18H22N4O2S and a molecular weight of 358.47 g/mol. Its IUPAC name is 1-benzyl-N-(5-butyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(5-butyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID24818097
Molecular FormulaC18H22N4O2S
Molecular Weight358.47 g/mol
Exact Mass358.15
IUPAC Name1-benzyl-N-(5-butyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCCCCc1nnc(NC(=O)C2CC(=O)N(Cc3ccccc3)C2)s1
InChIInChI=1S/C18H22N4O2S/c1-2-3-9-15-20-21-18(25-15)19-17(24)14-10-16(23)22(12-14)11-13-7-5-4-6-8-13/h4-8,14H,2-3,9-12H2,1H3,(H,19,21,24)
InChIKeyDSSVCLAIILWLKD-UHFFFAOYSA-N
XLogP2.87
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.47
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(5-butyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-benzyl-N-(5-butyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide (CID 24818097) is 1-benzyl-N-(5-butyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-(5-butyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-(5-butyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide is CCCCc1nnc(NC(=O)C2CC(=O)N(Cc3ccccc3)C2)s1.
What is the InChIKey of 1-benzyl-N-(5-butyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is DSSVCLAIILWLKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2S/c1-2-3-9-15-20-21-18(25-15)19-17(24)14-10-16(23)22(12-14)11-13-7-5-4-6-8-13/h4-8,14H,2-3,9-12H2,1H3,(H,19,21,24).
What are the key properties of 1-benzyl-N-(5-butyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide?
1-benzyl-N-(5-butyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 358.47 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(5-butyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 24818097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).