(3R)-N-[5-[(2R)-butan-2-yl]sulfanyl-1,3,4-thiadiazol-2-yl]-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide

C15H24N4O3S2 — CID 7438470

About (3R)-N-[5-[(2R)-butan-2-yl]sulfanyl-1,3,4-thiadiazol-2-yl]-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide

(3R)-N-[5-[(2R)-butan-2-yl]sulfanyl-1,3,4-thiadiazol-2-yl]-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 7438470) has the molecular formula C15H24N4O3S2 and a molecular weight of 372.52 g/mol. Its IUPAC name is (3R)-N-[5-[(2R)-butan-2-yl]sulfanyl-1,3,4-thiadiazol-2-yl]-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-N-[5-[(2R)-butan-2-yl]sulfanyl-1,3,4-thiadiazol-2-yl]-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
• PubChem CID: 7438470
• Molecular Formula: C15H24N4O3S2
• Molecular Weight: 372.52 g/mol
• Exact Mass: 372.13
• IUPAC Name: (3R)-N-[5-[(2R)-butan-2-yl]sulfanyl-1,3,4-thiadiazol-2-yl]-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
• SMILES: CC[C@@H](C)Sc1nnc(NC(=O)[C@@H]2CC(=O)N([C@@H](C)COC)C2)s1
• InChI: InChI=1S/C15H24N4O3S2/c1-5-10(3)23-15-18-17-14(24-15)16-13(21)11-6-12(20)19(7-11)9(2)8-22-4/h9-11H,5-8H2,1-4H3,(H,16,17,21)/t9-,10+,11+/m0/s1
• InChIKey: JOQNWGLCEGIOKR-HBNTYKKESA-N
• XLogP: 2.25
• TPSA: 84.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	372.52
LogP ≤ 5	2.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[5-[(2R)-butan-2-yl]sulfanyl-1,3,4-thiadiazol-2-yl]-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide?

The IUPAC name of (3R)-N-[5-[(2R)-butan-2-yl]sulfanyl-1,3,4-thiadiazol-2-yl]-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide (CID 7438470) is (3R)-N-[5-[(2R)-butan-2-yl]sulfanyl-1,3,4-thiadiazol-2-yl]-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide.

What is the SMILES notation for (3R)-N-[5-[(2R)-butan-2-yl]sulfanyl-1,3,4-thiadiazol-2-yl]-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide?

The canonical SMILES for (3R)-N-[5-[(2R)-butan-2-yl]sulfanyl-1,3,4-thiadiazol-2-yl]-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide is CC[C@@H](C)Sc1nnc(NC(=O)[C@@H]2CC(=O)N([C@@H](C)COC)C2)s1.

What is the InChIKey of (3R)-N-[5-[(2R)-butan-2-yl]sulfanyl-1,3,4-thiadiazol-2-yl]-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide?

The InChIKey is JOQNWGLCEGIOKR-HBNTYKKESA-N. The full InChI is InChI=1S/C15H24N4O3S2/c1-5-10(3)23-15-18-17-14(24-15)16-13(21)11-6-12(20)19(7-11)9(2)8-22-4/h9-11H,5-8H2,1-4H3,(H,16,17,21)/t9-,10+,11+/m0/s1.

What are the key properties of (3R)-N-[5-[(2R)-butan-2-yl]sulfanyl-1,3,4-thiadiazol-2-yl]-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide?

(3R)-N-[5-[(2R)-butan-2-yl]sulfanyl-1,3,4-thiadiazol-2-yl]-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 372.52 g/mol, XLogP of 2.25, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-N-[5-[(2R)-butan-2-yl]sulfanyl-1,3,4-thiadiazol-2-yl]-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 7438470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).