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

C19H23N5O3S — CID 17119912

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

N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 17119912) has the molecular formula C19H23N5O3S and a molecular weight of 401.49 g/mol. Its IUPAC name is N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
• PubChem CID: 17119912
• Molecular Formula: C19H23N5O3S
• Molecular Weight: 401.49 g/mol
• Exact Mass: 401.15
• IUPAC Name: N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
• SMILES: CCc1nnc(NC(=O)c2ccc(NC(=O)C3CC(=O)N(C(C)C)C3)cc2)s1
• InChI: InChI=1S/C19H23N5O3S/c1-4-15-22-23-19(28-15)21-17(26)12-5-7-14(8-6-12)20-18(27)13-9-16(25)24(10-13)11(2)3/h5-8,11,13H,4,9-10H2,1-3H3,(H,20,27)(H,21,23,26)
• InChIKey: GUDTVNLJQJWRQX-UHFFFAOYSA-N
• XLogP: 2.55
• TPSA: 104.29 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	401.49
LogP ≤ 5	2.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide (CID 17119912) is N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide.

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

The canonical SMILES for N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide is CCc1nnc(NC(=O)c2ccc(NC(=O)C3CC(=O)N(C(C)C)C3)cc2)s1.

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

The InChIKey is GUDTVNLJQJWRQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3S/c1-4-15-22-23-19(28-15)21-17(26)12-5-7-14(8-6-12)20-18(27)13-9-16(25)24(10-13)11(2)3/h5-8,11,13H,4,9-10H2,1-3H3,(H,20,27)(H,21,23,26).

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

N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 401.49 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 17119912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).