1-benzyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide

C18H22N4O2S — CID 24687345

IUPAC1-benzyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)Cc1nnc(NC(=O)C2CC(=O)N(Cc3ccccc3)C2)s1
InChIInChI=1S/C18H22N4O2S/c1-12(2)8-15-20-21-18(25-15)19-17(24)14-9-16(23)22(11-14)10-13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3,(H,19,21,24)
InChIKeyOTXSIUZAXHAUES-UHFFFAOYSA-N
MW358.47 g/mol
LogP2.72
Rot. Bonds6

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

1-benzyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 24687345) has the molecular formula C18H22N4O2S and a molecular weight of 358.47 g/mol. Its IUPAC name is 1-benzyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
PubChem CID24687345
Molecular FormulaC18H22N4O2S
Molecular Weight358.47 g/mol
Exact Mass358.15
IUPAC Name1-benzyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)Cc1nnc(NC(=O)C2CC(=O)N(Cc3ccccc3)C2)s1
InChIInChI=1S/C18H22N4O2S/c1-12(2)8-15-20-21-18(25-15)19-17(24)14-9-16(23)22(11-14)10-13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3,(H,19,21,24)
InChIKeyOTXSIUZAXHAUES-UHFFFAOYSA-N
XLogP2.72
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.47
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-benzyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-benzyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide (CID 24687345) is 1-benzyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide is CC(C)Cc1nnc(NC(=O)C2CC(=O)N(Cc3ccccc3)C2)s1.
What is the InChIKey of 1-benzyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is OTXSIUZAXHAUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2S/c1-12(2)8-15-20-21-18(25-15)19-17(24)14-9-16(23)22(11-14)10-13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3,(H,19,21,24).
What are the key properties of 1-benzyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide?
1-benzyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 358.47 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 24687345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).