(3R)-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-2-oxo-1-phenylpyrrolidine-3-carboxamide

C17H20N4O2S2 — CID 97268778

IUPAC(3R)-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-2-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESCc1nnc(SCCCNC(=O)[C@H]2CCN(c3ccccc3)C2=O)s1
InChIInChI=1S/C17H20N4O2S2/c1-12-19-20-17(25-12)24-11-5-9-18-15(22)14-8-10-21(16(14)23)13-6-3-2-4-7-13/h2-4,6-7,14H,5,8-11H2,1H3,(H,18,22)/t14-/m1/s1
InChIKeyWESNXTIMZKHNKH-CQSZACIVSA-N
MW376.51 g/mol
LogP2.50
Rot. Bonds7

About (3R)-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-2-oxo-1-phenylpyrrolidine-3-carboxamide

(3R)-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-2-oxo-1-phenylpyrrolidine-3-carboxamide (PubChem CID 97268778) has the molecular formula C17H20N4O2S2 and a molecular weight of 376.51 g/mol. Its IUPAC name is (3R)-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-2-oxo-1-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-2-oxo-1-phenylpyrrolidine-3-carboxamide
PubChem CID97268778
Molecular FormulaC17H20N4O2S2
Molecular Weight376.51 g/mol
Exact Mass376.10
IUPAC Name(3R)-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-2-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESCc1nnc(SCCCNC(=O)[C@H]2CCN(c3ccccc3)C2=O)s1
InChIInChI=1S/C17H20N4O2S2/c1-12-19-20-17(25-12)24-11-5-9-18-15(22)14-8-10-21(16(14)23)13-6-3-2-4-7-13/h2-4,6-7,14H,5,8-11H2,1H3,(H,18,22)/t14-/m1/s1
InChIKeyWESNXTIMZKHNKH-CQSZACIVSA-N
XLogP2.50
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.51
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze (3R)-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-2-oxo-1-phenylpyrrolidine-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 (3R)-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-2-oxo-1-phenylpyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-2-oxo-1-phenylpyrrolidine-3-carboxamide (CID 97268778) is (3R)-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-2-oxo-1-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-2-oxo-1-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-2-oxo-1-phenylpyrrolidine-3-carboxamide is Cc1nnc(SCCCNC(=O)[C@H]2CCN(c3ccccc3)C2=O)s1.
What is the InChIKey of (3R)-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-2-oxo-1-phenylpyrrolidine-3-carboxamide?
The InChIKey is WESNXTIMZKHNKH-CQSZACIVSA-N. The full InChI is InChI=1S/C17H20N4O2S2/c1-12-19-20-17(25-12)24-11-5-9-18-15(22)14-8-10-21(16(14)23)13-6-3-2-4-7-13/h2-4,6-7,14H,5,8-11H2,1H3,(H,18,22)/t14-/m1/s1.
What are the key properties of (3R)-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-2-oxo-1-phenylpyrrolidine-3-carboxamide?
(3R)-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-2-oxo-1-phenylpyrrolidine-3-carboxamide has a molecular weight of 376.51 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-2-oxo-1-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 97268778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).