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

C16H17N3O2S — CID 4794111

IUPAC5-oxo-1-(2-phenylethyl)-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1nccs1)C1CC(=O)N(CCc2ccccc2)C1
InChIInChI=1S/C16H17N3O2S/c20-14-10-13(15(21)18-16-17-7-9-22-16)11-19(14)8-6-12-4-2-1-3-5-12/h1-5,7,9,13H,6,8,10-11H2,(H,17,18,21)
InChIKeyRGTJGVJJWKJDNE-UHFFFAOYSA-N
MW315.40 g/mol
LogP2.17
Rot. Bonds5

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

5-oxo-1-(2-phenylethyl)-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide (PubChem CID 4794111) has the molecular formula C16H17N3O2S and a molecular weight of 315.40 g/mol. Its IUPAC name is 5-oxo-1-(2-phenylethyl)-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name5-oxo-1-(2-phenylethyl)-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
PubChem CID4794111
Molecular FormulaC16H17N3O2S
Molecular Weight315.40 g/mol
Exact Mass315.10
IUPAC Name5-oxo-1-(2-phenylethyl)-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1nccs1)C1CC(=O)N(CCc2ccccc2)C1
InChIInChI=1S/C16H17N3O2S/c20-14-10-13(15(21)18-16-17-7-9-22-16)11-19(14)8-6-12-4-2-1-3-5-12/h1-5,7,9,13H,6,8,10-11H2,(H,17,18,21)
InChIKeyRGTJGVJJWKJDNE-UHFFFAOYSA-N
XLogP2.17
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-(2-phenylethyl)-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?
The IUPAC name of 5-oxo-1-(2-phenylethyl)-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide (CID 4794111) is 5-oxo-1-(2-phenylethyl)-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 5-oxo-1-(2-phenylethyl)-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for 5-oxo-1-(2-phenylethyl)-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide is O=C(Nc1nccs1)C1CC(=O)N(CCc2ccccc2)C1.
What is the InChIKey of 5-oxo-1-(2-phenylethyl)-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?
The InChIKey is RGTJGVJJWKJDNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2S/c20-14-10-13(15(21)18-16-17-7-9-22-16)11-19(14)8-6-12-4-2-1-3-5-12/h1-5,7,9,13H,6,8,10-11H2,(H,17,18,21).
What are the key properties of 5-oxo-1-(2-phenylethyl)-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?
5-oxo-1-(2-phenylethyl)-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide has a molecular weight of 315.40 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-(2-phenylethyl)-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 4794111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).