1-(furan-2-ylmethyl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide

C13H13N3O3S — CID 4884297

IUPAC1-(furan-2-ylmethyl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1nccs1)C1CC(=O)N(Cc2ccco2)C1
InChIInChI=1S/C13H13N3O3S/c17-11-6-9(12(18)15-13-14-3-5-20-13)7-16(11)8-10-2-1-4-19-10/h1-5,9H,6-8H2,(H,14,15,18)
InChIKeyREMIBCTWUNMPAL-UHFFFAOYSA-N
MW291.33 g/mol
LogP1.72
Rot. Bonds4

About 1-(furan-2-ylmethyl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide

1-(furan-2-ylmethyl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide (PubChem CID 4884297) has the molecular formula C13H13N3O3S and a molecular weight of 291.33 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
PubChem CID4884297
Molecular FormulaC13H13N3O3S
Molecular Weight291.33 g/mol
Exact Mass291.07
IUPAC Name1-(furan-2-ylmethyl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1nccs1)C1CC(=O)N(Cc2ccco2)C1
InChIInChI=1S/C13H13N3O3S/c17-11-6-9(12(18)15-13-14-3-5-20-13)7-16(11)8-10-2-1-4-19-10/h1-5,9H,6-8H2,(H,14,15,18)
InChIKeyREMIBCTWUNMPAL-UHFFFAOYSA-N
XLogP1.72
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(furan-2-ylmethyl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide (CID 4884297) is 1-(furan-2-ylmethyl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(furan-2-ylmethyl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(furan-2-ylmethyl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide is O=C(Nc1nccs1)C1CC(=O)N(Cc2ccco2)C1.
What is the InChIKey of 1-(furan-2-ylmethyl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?
The InChIKey is REMIBCTWUNMPAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3S/c17-11-6-9(12(18)15-13-14-3-5-20-13)7-16(11)8-10-2-1-4-19-10/h1-5,9H,6-8H2,(H,14,15,18).
What are the key properties of 1-(furan-2-ylmethyl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?
1-(furan-2-ylmethyl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide has a molecular weight of 291.33 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 4884297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).