(2R)-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]-N-[(4-propan-2-yloxyphenyl)methyl]pyrrolidine-2-carboxamide

C21H27N5O3S — CID 92736855

About (2R)-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]-N-[(4-propan-2-yloxyphenyl)methyl]pyrrolidine-2-carboxamide

(2R)-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]-N-[(4-propan-2-yloxyphenyl)methyl]pyrrolidine-2-carboxamide (PubChem CID 92736855) has the molecular formula C21H27N5O3S and a molecular weight of 429.55 g/mol. Its IUPAC name is (2R)-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]-N-[(4-propan-2-yloxyphenyl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: (2R)-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]-N-[(4-propan-2-yloxyphenyl)methyl]pyrrolidine-2-carboxamide
• PubChem CID: 92736855
• Molecular Formula: C21H27N5O3S
• Molecular Weight: 429.55 g/mol
• Exact Mass: 429.18
• IUPAC Name: (2R)-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]-N-[(4-propan-2-yloxyphenyl)methyl]pyrrolidine-2-carboxamide
• SMILES: CC(C)Oc1ccc(CNC(=O)[C@H]2CCCN2c2nnc(N3CCCC3=O)s2)cc1
• InChI: InChI=1S/C21H27N5O3S/c1-14(2)29-16-9-7-15(8-10-16)13-22-19(28)17-5-3-11-25(17)20-23-24-21(30-20)26-12-4-6-18(26)27/h7-10,14,17H,3-6,11-13H2,1-2H3,(H,22,28)/t17-/m1/s1
• InChIKey: HKNFLTODHXDXET-QGZVFWFLSA-N
• XLogP: 2.74
• TPSA: 87.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	429.55
LogP ≤ 5	2.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]-N-[(4-propan-2-yloxyphenyl)methyl]pyrrolidine-2-carboxamide?

The IUPAC name of (2R)-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]-N-[(4-propan-2-yloxyphenyl)methyl]pyrrolidine-2-carboxamide (CID 92736855) is (2R)-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]-N-[(4-propan-2-yloxyphenyl)methyl]pyrrolidine-2-carboxamide.

What is the SMILES notation for (2R)-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]-N-[(4-propan-2-yloxyphenyl)methyl]pyrrolidine-2-carboxamide?

The canonical SMILES for (2R)-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]-N-[(4-propan-2-yloxyphenyl)methyl]pyrrolidine-2-carboxamide is CC(C)Oc1ccc(CNC(=O)[C@H]2CCCN2c2nnc(N3CCCC3=O)s2)cc1.

What is the InChIKey of (2R)-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]-N-[(4-propan-2-yloxyphenyl)methyl]pyrrolidine-2-carboxamide?

The InChIKey is HKNFLTODHXDXET-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H27N5O3S/c1-14(2)29-16-9-7-15(8-10-16)13-22-19(28)17-5-3-11-25(17)20-23-24-21(30-20)26-12-4-6-18(26)27/h7-10,14,17H,3-6,11-13H2,1-2H3,(H,22,28)/t17-/m1/s1.

What are the key properties of (2R)-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]-N-[(4-propan-2-yloxyphenyl)methyl]pyrrolidine-2-carboxamide?

(2R)-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]-N-[(4-propan-2-yloxyphenyl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 429.55 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]-N-[(4-propan-2-yloxyphenyl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 92736855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).