1-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-3-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)urea

C16H25N5O3S — CID 127323259

About 1-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-3-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)urea

1-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-3-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)urea (PubChem CID 127323259) has the molecular formula C16H25N5O3S and a molecular weight of 367.48 g/mol. Its IUPAC name is 1-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-3-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)urea.

Molecular Properties

• Compound Name: 1-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-3-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)urea
• PubChem CID: 127323259
• Molecular Formula: C16H25N5O3S
• Molecular Weight: 367.48 g/mol
• Exact Mass: 367.17
• IUPAC Name: 1-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-3-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)urea
• SMILES: CC(C)N1CCC(NC(=O)Nc2nc(CN3CCOCC3)cs2)C1=O
• InChI: InChI=1S/C16H25N5O3S/c1-11(2)21-4-3-13(14(21)22)18-15(23)19-16-17-12(10-25-16)9-20-5-7-24-8-6-20/h10-11,13H,3-9H2,1-2H3,(H2,17,18,19,23)
• InChIKey: VFDYIVUZFSOOQO-UHFFFAOYSA-N
• XLogP: 1.11
• TPSA: 86.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	367.48
LogP ≤ 5	1.11
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-3-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)urea?

The IUPAC name of 1-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-3-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)urea (CID 127323259) is 1-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-3-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)urea.

What is the SMILES notation for 1-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-3-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)urea?

The canonical SMILES for 1-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-3-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)urea is CC(C)N1CCC(NC(=O)Nc2nc(CN3CCOCC3)cs2)C1=O.

What is the InChIKey of 1-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-3-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)urea?

The InChIKey is VFDYIVUZFSOOQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O3S/c1-11(2)21-4-3-13(14(21)22)18-15(23)19-16-17-12(10-25-16)9-20-5-7-24-8-6-20/h10-11,13H,3-9H2,1-2H3,(H2,17,18,19,23).

What are the key properties of 1-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-3-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)urea?

1-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-3-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)urea has a molecular weight of 367.48 g/mol, XLogP of 1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-3-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)urea is sourced from PubChem (CID 127323259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).