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

C15H24N4O2S — CID 75521291

IUPAC1-[2-(4-methyl-1,3-thiazol-2-yl)propyl]-3-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)urea
SMILESCc1csc(C(C)CNC(=O)NC2CCN(C(C)C)C2=O)n1
InChIInChI=1S/C15H24N4O2S/c1-9(2)19-6-5-12(14(19)20)18-15(21)16-7-10(3)13-17-11(4)8-22-13/h8-10,12H,5-7H2,1-4H3,(H2,16,18,21)
InChIKeyUIAFNYGQPSHZOB-UHFFFAOYSA-N
MW324.45 g/mol
LogP1.86
Rot. Bonds5

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

1-[2-(4-methyl-1,3-thiazol-2-yl)propyl]-3-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)urea (PubChem CID 75521291) has the molecular formula C15H24N4O2S and a molecular weight of 324.45 g/mol. Its IUPAC name is 1-[2-(4-methyl-1,3-thiazol-2-yl)propyl]-3-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)urea.

Molecular Properties

Compound Name1-[2-(4-methyl-1,3-thiazol-2-yl)propyl]-3-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)urea
PubChem CID75521291
Molecular FormulaC15H24N4O2S
Molecular Weight324.45 g/mol
Exact Mass324.16
IUPAC Name1-[2-(4-methyl-1,3-thiazol-2-yl)propyl]-3-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)urea
SMILESCc1csc(C(C)CNC(=O)NC2CCN(C(C)C)C2=O)n1
InChIInChI=1S/C15H24N4O2S/c1-9(2)19-6-5-12(14(19)20)18-15(21)16-7-10(3)13-17-11(4)8-22-13/h8-10,12H,5-7H2,1-4H3,(H2,16,18,21)
InChIKeyUIAFNYGQPSHZOB-UHFFFAOYSA-N
XLogP1.86
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methyl-1,3-thiazol-2-yl)propyl]-3-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)urea?
The IUPAC name of 1-[2-(4-methyl-1,3-thiazol-2-yl)propyl]-3-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)urea (CID 75521291) is 1-[2-(4-methyl-1,3-thiazol-2-yl)propyl]-3-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)urea.
What is the SMILES notation for 1-[2-(4-methyl-1,3-thiazol-2-yl)propyl]-3-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)urea?
The canonical SMILES for 1-[2-(4-methyl-1,3-thiazol-2-yl)propyl]-3-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)urea is Cc1csc(C(C)CNC(=O)NC2CCN(C(C)C)C2=O)n1.
What is the InChIKey of 1-[2-(4-methyl-1,3-thiazol-2-yl)propyl]-3-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)urea?
The InChIKey is UIAFNYGQPSHZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2S/c1-9(2)19-6-5-12(14(19)20)18-15(21)16-7-10(3)13-17-11(4)8-22-13/h8-10,12H,5-7H2,1-4H3,(H2,16,18,21).
What are the key properties of 1-[2-(4-methyl-1,3-thiazol-2-yl)propyl]-3-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)urea?
1-[2-(4-methyl-1,3-thiazol-2-yl)propyl]-3-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)urea has a molecular weight of 324.45 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methyl-1,3-thiazol-2-yl)propyl]-3-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)urea is sourced from PubChem (CID 75521291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).