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

C18H20BrN5O2S — CID 92736847

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

(2R)-N-[(2-bromophenyl)methyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide (PubChem CID 92736847) has the molecular formula C18H20BrN5O2S and a molecular weight of 450.36 g/mol. Its IUPAC name is (2R)-N-[(2-bromophenyl)methyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: (2R)-N-[(2-bromophenyl)methyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide
• PubChem CID: 92736847
• Molecular Formula: C18H20BrN5O2S
• Molecular Weight: 450.36 g/mol
• Exact Mass: 449.05
• IUPAC Name: (2R)-N-[(2-bromophenyl)methyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide
• SMILES: O=C(NCc1ccccc1Br)[C@H]1CCCN1c1nnc(N2CCCC2=O)s1
• InChI: InChI=1S/C18H20BrN5O2S/c19-13-6-2-1-5-12(13)11-20-16(26)14-7-3-9-23(14)17-21-22-18(27-17)24-10-4-8-15(24)25/h1-2,5-6,14H,3-4,7-11H2,(H,20,26)/t14-/m1/s1
• InChIKey: ZUARXPYTGROJPI-CQSZACIVSA-N
• XLogP: 2.71
• TPSA: 78.43 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	450.36
LogP ≤ 5	2.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of (2R)-N-[(2-bromophenyl)methyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide (CID 92736847) is (2R)-N-[(2-bromophenyl)methyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide.

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

The canonical SMILES for (2R)-N-[(2-bromophenyl)methyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide is O=C(NCc1ccccc1Br)[C@H]1CCCN1c1nnc(N2CCCC2=O)s1.

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

The InChIKey is ZUARXPYTGROJPI-CQSZACIVSA-N. The full InChI is InChI=1S/C18H20BrN5O2S/c19-13-6-2-1-5-12(13)11-20-16(26)14-7-3-9-23(14)17-21-22-18(27-17)24-10-4-8-15(24)25/h1-2,5-6,14H,3-4,7-11H2,(H,20,26)/t14-/m1/s1.

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

(2R)-N-[(2-bromophenyl)methyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide has a molecular weight of 450.36 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-[(2-bromophenyl)methyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 92736847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).