N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide

C21H19N3O4S — CID 24980171

IUPACN-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(=O)c1sc(NC(=O)C2CC(=O)N(Cc3ccco3)C2)nc1-c1ccccc1
InChIInChI=1S/C21H19N3O4S/c1-13(25)19-18(14-6-3-2-4-7-14)22-21(29-19)23-20(27)15-10-17(26)24(11-15)12-16-8-5-9-28-16/h2-9,15H,10-12H2,1H3,(H,22,23,27)
InChIKeyOGGLMYSNEIFXPR-UHFFFAOYSA-N
MW409.47 g/mol
LogP3.59
Rot. Bonds6

About N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide

N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 24980171) has the molecular formula C21H19N3O4S and a molecular weight of 409.47 g/mol. Its IUPAC name is N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID24980171
Molecular FormulaC21H19N3O4S
Molecular Weight409.47 g/mol
Exact Mass409.11
IUPAC NameN-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(=O)c1sc(NC(=O)C2CC(=O)N(Cc3ccco3)C2)nc1-c1ccccc1
InChIInChI=1S/C21H19N3O4S/c1-13(25)19-18(14-6-3-2-4-7-14)22-21(29-19)23-20(27)15-10-17(26)24(11-15)12-16-8-5-9-28-16/h2-9,15H,10-12H2,1H3,(H,22,23,27)
InChIKeyOGGLMYSNEIFXPR-UHFFFAOYSA-N
XLogP3.59
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide (CID 24980171) is N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide is CC(=O)c1sc(NC(=O)C2CC(=O)N(Cc3ccco3)C2)nc1-c1ccccc1.
What is the InChIKey of N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is OGGLMYSNEIFXPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O4S/c1-13(25)19-18(14-6-3-2-4-7-14)22-21(29-19)23-20(27)15-10-17(26)24(11-15)12-16-8-5-9-28-16/h2-9,15H,10-12H2,1H3,(H,22,23,27).
What are the key properties of N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 409.47 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 24980171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).