(3S)-1-(2-methylphenyl)-5-oxo-N-[5-[(2R)-pentan-2-yl]-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide

C19H24N4O2S — CID 7449847

About (3S)-1-(2-methylphenyl)-5-oxo-N-[5-[(2R)-pentan-2-yl]-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide

(3S)-1-(2-methylphenyl)-5-oxo-N-[5-[(2R)-pentan-2-yl]-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide (PubChem CID 7449847) has the molecular formula C19H24N4O2S and a molecular weight of 372.49 g/mol. Its IUPAC name is (3S)-1-(2-methylphenyl)-5-oxo-N-[5-[(2R)-pentan-2-yl]-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: (3S)-1-(2-methylphenyl)-5-oxo-N-[5-[(2R)-pentan-2-yl]-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide
• PubChem CID: 7449847
• Molecular Formula: C19H24N4O2S
• Molecular Weight: 372.49 g/mol
• Exact Mass: 372.16
• IUPAC Name: (3S)-1-(2-methylphenyl)-5-oxo-N-[5-[(2R)-pentan-2-yl]-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide
• SMILES: CCC[C@@H](C)c1nnc(NC(=O)[C@H]2CC(=O)N(c3ccccc3C)C2)s1
• InChI: InChI=1S/C19H24N4O2S/c1-4-7-13(3)18-21-22-19(26-18)20-17(25)14-10-16(24)23(11-14)15-9-6-5-8-12(15)2/h5-6,8-9,13-14H,4,7,10-11H2,1-3H3,(H,20,22,25)/t13-,14+/m1/s1
• InChIKey: RYFWLPPKYWUVHB-KGLIPLIRSA-N
• XLogP: 3.74
• TPSA: 75.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	372.49
LogP ≤ 5	3.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2-methylphenyl)-5-oxo-N-[5-[(2R)-pentan-2-yl]-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide?

The IUPAC name of (3S)-1-(2-methylphenyl)-5-oxo-N-[5-[(2R)-pentan-2-yl]-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide (CID 7449847) is (3S)-1-(2-methylphenyl)-5-oxo-N-[5-[(2R)-pentan-2-yl]-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide.

What is the SMILES notation for (3S)-1-(2-methylphenyl)-5-oxo-N-[5-[(2R)-pentan-2-yl]-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide?

The canonical SMILES for (3S)-1-(2-methylphenyl)-5-oxo-N-[5-[(2R)-pentan-2-yl]-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide is CCC[C@@H](C)c1nnc(NC(=O)[C@H]2CC(=O)N(c3ccccc3C)C2)s1.

What is the InChIKey of (3S)-1-(2-methylphenyl)-5-oxo-N-[5-[(2R)-pentan-2-yl]-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide?

The InChIKey is RYFWLPPKYWUVHB-KGLIPLIRSA-N. The full InChI is InChI=1S/C19H24N4O2S/c1-4-7-13(3)18-21-22-19(26-18)20-17(25)14-10-16(24)23(11-14)15-9-6-5-8-12(15)2/h5-6,8-9,13-14H,4,7,10-11H2,1-3H3,(H,20,22,25)/t13-,14+/m1/s1.

What are the key properties of (3S)-1-(2-methylphenyl)-5-oxo-N-[5-[(2R)-pentan-2-yl]-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide?

(3S)-1-(2-methylphenyl)-5-oxo-N-[5-[(2R)-pentan-2-yl]-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide has a molecular weight of 372.49 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-1-(2-methylphenyl)-5-oxo-N-[5-[(2R)-pentan-2-yl]-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 7449847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).