5-oxo-1-propan-2-yl-N-[4-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]pyrrolidine-3-carboxamide

C20H25N5O3S — CID 17119886

About 5-oxo-1-propan-2-yl-N-[4-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]pyrrolidine-3-carboxamide

5-oxo-1-propan-2-yl-N-[4-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]pyrrolidine-3-carboxamide (PubChem CID 17119886) has the molecular formula C20H25N5O3S and a molecular weight of 415.52 g/mol. Its IUPAC name is 5-oxo-1-propan-2-yl-N-[4-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: 5-oxo-1-propan-2-yl-N-[4-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]pyrrolidine-3-carboxamide
• PubChem CID: 17119886
• Molecular Formula: C20H25N5O3S
• Molecular Weight: 415.52 g/mol
• Exact Mass: 415.17
• IUPAC Name: 5-oxo-1-propan-2-yl-N-[4-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]pyrrolidine-3-carboxamide
• SMILES: CC(C)c1nnc(NC(=O)c2ccc(NC(=O)C3CC(=O)N(C(C)C)C3)cc2)s1
• InChI: InChI=1S/C20H25N5O3S/c1-11(2)19-23-24-20(29-19)22-17(27)13-5-7-15(8-6-13)21-18(28)14-9-16(26)25(10-14)12(3)4/h5-8,11-12,14H,9-10H2,1-4H3,(H,21,28)(H,22,24,27)
• InChIKey: HOOVMWVQMXHEBL-UHFFFAOYSA-N
• XLogP: 3.11
• TPSA: 104.29 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	415.52
LogP ≤ 5	3.11
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-propan-2-yl-N-[4-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]pyrrolidine-3-carboxamide?

The IUPAC name of 5-oxo-1-propan-2-yl-N-[4-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]pyrrolidine-3-carboxamide (CID 17119886) is 5-oxo-1-propan-2-yl-N-[4-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]pyrrolidine-3-carboxamide.

What is the SMILES notation for 5-oxo-1-propan-2-yl-N-[4-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]pyrrolidine-3-carboxamide?

The canonical SMILES for 5-oxo-1-propan-2-yl-N-[4-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]pyrrolidine-3-carboxamide is CC(C)c1nnc(NC(=O)c2ccc(NC(=O)C3CC(=O)N(C(C)C)C3)cc2)s1.

What is the InChIKey of 5-oxo-1-propan-2-yl-N-[4-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]pyrrolidine-3-carboxamide?

The InChIKey is HOOVMWVQMXHEBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3S/c1-11(2)19-23-24-20(29-19)22-17(27)13-5-7-15(8-6-13)21-18(28)14-9-16(26)25(10-14)12(3)4/h5-8,11-12,14H,9-10H2,1-4H3,(H,21,28)(H,22,24,27).

What are the key properties of 5-oxo-1-propan-2-yl-N-[4-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]pyrrolidine-3-carboxamide?

5-oxo-1-propan-2-yl-N-[4-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]pyrrolidine-3-carboxamide has a molecular weight of 415.52 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-oxo-1-propan-2-yl-N-[4-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 17119886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).