1-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(4-methyl-1,3-thiazol-2-yl)urea

C17H20N4O3S — CID 16819841

IUPAC1-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(4-methyl-1,3-thiazol-2-yl)urea
SMILESCCOc1ccc(N2CC(NC(=O)Nc3nc(C)cs3)CC2=O)cc1
InChIInChI=1S/C17H20N4O3S/c1-3-24-14-6-4-13(5-7-14)21-9-12(8-15(21)22)19-16(23)20-17-18-11(2)10-25-17/h4-7,10,12H,3,8-9H2,1-2H3,(H2,18,19,20,23)
InChIKeyLOCUSMWUVCXGBU-UHFFFAOYSA-N
MW360.44 g/mol
LogP2.78
Rot. Bonds5

About 1-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(4-methyl-1,3-thiazol-2-yl)urea

1-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(4-methyl-1,3-thiazol-2-yl)urea (PubChem CID 16819841) has the molecular formula C17H20N4O3S and a molecular weight of 360.44 g/mol. Its IUPAC name is 1-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(4-methyl-1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(4-methyl-1,3-thiazol-2-yl)urea
PubChem CID16819841
Molecular FormulaC17H20N4O3S
Molecular Weight360.44 g/mol
Exact Mass360.13
IUPAC Name1-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(4-methyl-1,3-thiazol-2-yl)urea
SMILESCCOc1ccc(N2CC(NC(=O)Nc3nc(C)cs3)CC2=O)cc1
InChIInChI=1S/C17H20N4O3S/c1-3-24-14-6-4-13(5-7-14)21-9-12(8-15(21)22)19-16(23)20-17-18-11(2)10-25-17/h4-7,10,12H,3,8-9H2,1-2H3,(H2,18,19,20,23)
InChIKeyLOCUSMWUVCXGBU-UHFFFAOYSA-N
XLogP2.78
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(4-methyl-1,3-thiazol-2-yl)urea?
The IUPAC name of 1-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(4-methyl-1,3-thiazol-2-yl)urea (CID 16819841) is 1-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(4-methyl-1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(4-methyl-1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(4-methyl-1,3-thiazol-2-yl)urea is CCOc1ccc(N2CC(NC(=O)Nc3nc(C)cs3)CC2=O)cc1.
What is the InChIKey of 1-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(4-methyl-1,3-thiazol-2-yl)urea?
The InChIKey is LOCUSMWUVCXGBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3S/c1-3-24-14-6-4-13(5-7-14)21-9-12(8-15(21)22)19-16(23)20-17-18-11(2)10-25-17/h4-7,10,12H,3,8-9H2,1-2H3,(H2,18,19,20,23).
What are the key properties of 1-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(4-methyl-1,3-thiazol-2-yl)urea?
1-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(4-methyl-1,3-thiazol-2-yl)urea has a molecular weight of 360.44 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(4-methyl-1,3-thiazol-2-yl)urea is sourced from PubChem (CID 16819841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).