(3R)-N-(4,5-dihydro-1,3-thiazol-2-yl)-1-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide

C15H24N4O2S — CID 96533277

About (3R)-N-(4,5-dihydro-1,3-thiazol-2-yl)-1-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide

(3R)-N-(4,5-dihydro-1,3-thiazol-2-yl)-1-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 96533277) has the molecular formula C15H24N4O2S and a molecular weight of 324.45 g/mol. Its IUPAC name is (3R)-N-(4,5-dihydro-1,3-thiazol-2-yl)-1-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-N-(4,5-dihydro-1,3-thiazol-2-yl)-1-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide
• PubChem CID: 96533277
• Molecular Formula: C15H24N4O2S
• Molecular Weight: 324.45 g/mol
• Exact Mass: 324.16
• IUPAC Name: (3R)-N-(4,5-dihydro-1,3-thiazol-2-yl)-1-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide
• SMILES: CCN1CCC[C@@H]1CN1C[C@H](C(=O)NC2=NCCS2)CC1=O
• InChI: InChI=1S/C15H24N4O2S/c1-2-18-6-3-4-12(18)10-19-9-11(8-13(19)20)14(21)17-15-16-5-7-22-15/h11-12H,2-10H2,1H3,(H,16,17,21)/t11-,12-/m1/s1
• InChIKey: RUEJCOBRXMUGCQ-VXGBXAGGSA-N
• XLogP: 0.54
• TPSA: 65.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	324.45
LogP ≤ 5	0.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(4,5-dihydro-1,3-thiazol-2-yl)-1-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide?

The IUPAC name of (3R)-N-(4,5-dihydro-1,3-thiazol-2-yl)-1-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide (CID 96533277) is (3R)-N-(4,5-dihydro-1,3-thiazol-2-yl)-1-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide.

What is the SMILES notation for (3R)-N-(4,5-dihydro-1,3-thiazol-2-yl)-1-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide?

The canonical SMILES for (3R)-N-(4,5-dihydro-1,3-thiazol-2-yl)-1-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide is CCN1CCC[C@@H]1CN1C[C@H](C(=O)NC2=NCCS2)CC1=O.

What is the InChIKey of (3R)-N-(4,5-dihydro-1,3-thiazol-2-yl)-1-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide?

The InChIKey is RUEJCOBRXMUGCQ-VXGBXAGGSA-N. The full InChI is InChI=1S/C15H24N4O2S/c1-2-18-6-3-4-12(18)10-19-9-11(8-13(19)20)14(21)17-15-16-5-7-22-15/h11-12H,2-10H2,1H3,(H,16,17,21)/t11-,12-/m1/s1.

What are the key properties of (3R)-N-(4,5-dihydro-1,3-thiazol-2-yl)-1-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide?

(3R)-N-(4,5-dihydro-1,3-thiazol-2-yl)-1-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 324.45 g/mol, XLogP of 0.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-N-(4,5-dihydro-1,3-thiazol-2-yl)-1-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 96533277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).