1-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-[(R)-cyclopropyl(1,3-thiazol-2-yl)methyl]urea

C15H20N4O2S — CID 96527501

About 1-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-[(R)-cyclopropyl(1,3-thiazol-2-yl)methyl]urea

1-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-[(R)-cyclopropyl(1,3-thiazol-2-yl)methyl]urea (PubChem CID 96527501) has the molecular formula C15H20N4O2S and a molecular weight of 320.42 g/mol. Its IUPAC name is 1-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-[(R)-cyclopropyl(1,3-thiazol-2-yl)methyl]urea.

Molecular Properties

• Compound Name: 1-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-[(R)-cyclopropyl(1,3-thiazol-2-yl)methyl]urea
• PubChem CID: 96527501
• Molecular Formula: C15H20N4O2S
• Molecular Weight: 320.42 g/mol
• Exact Mass: 320.13
• IUPAC Name: 1-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-[(R)-cyclopropyl(1,3-thiazol-2-yl)methyl]urea
• SMILES: O=C(N[C@@H]1CC(=O)N(C2CC2)C1)N[C@@H](c1nccs1)C1CC1
• InChI: InChI=1S/C15H20N4O2S/c20-12-7-10(8-19(12)11-3-4-11)17-15(21)18-13(9-1-2-9)14-16-5-6-22-14/h5-6,9-11,13H,1-4,7-8H2,(H2,17,18,21)/t10-,13-/m1/s1
• InChIKey: UOXPBAHLXRVFEB-ZWNOBZJWSA-N
• XLogP: 1.66
• TPSA: 74.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	320.42
LogP ≤ 5	1.66
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-[(R)-cyclopropyl(1,3-thiazol-2-yl)methyl]urea?

The IUPAC name of 1-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-[(R)-cyclopropyl(1,3-thiazol-2-yl)methyl]urea (CID 96527501) is 1-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-[(R)-cyclopropyl(1,3-thiazol-2-yl)methyl]urea.

What is the SMILES notation for 1-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-[(R)-cyclopropyl(1,3-thiazol-2-yl)methyl]urea?

The canonical SMILES for 1-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-[(R)-cyclopropyl(1,3-thiazol-2-yl)methyl]urea is O=C(N[C@@H]1CC(=O)N(C2CC2)C1)N[C@@H](c1nccs1)C1CC1.

What is the InChIKey of 1-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-[(R)-cyclopropyl(1,3-thiazol-2-yl)methyl]urea?

The InChIKey is UOXPBAHLXRVFEB-ZWNOBZJWSA-N. The full InChI is InChI=1S/C15H20N4O2S/c20-12-7-10(8-19(12)11-3-4-11)17-15(21)18-13(9-1-2-9)14-16-5-6-22-14/h5-6,9-11,13H,1-4,7-8H2,(H2,17,18,21)/t10-,13-/m1/s1.

What are the key properties of 1-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-[(R)-cyclopropyl(1,3-thiazol-2-yl)methyl]urea?

1-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-[(R)-cyclopropyl(1,3-thiazol-2-yl)methyl]urea has a molecular weight of 320.42 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-[(R)-cyclopropyl(1,3-thiazol-2-yl)methyl]urea is sourced from PubChem (CID 96527501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).