N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]-5-oxo-1-phenylpyrrolidine-2-carboxamide

C19H23N3O2S — CID 110628574

IUPACN-[3-methyl-1-(1,3-thiazol-2-yl)butyl]-5-oxo-1-phenylpyrrolidine-2-carboxamide
SMILESCC(C)CC(NC(=O)C1CCC(=O)N1c1ccccc1)c1nccs1
InChIInChI=1S/C19H23N3O2S/c1-13(2)12-15(19-20-10-11-25-19)21-18(24)16-8-9-17(23)22(16)14-6-4-3-5-7-14/h3-7,10-11,13,15-16H,8-9,12H2,1-2H3,(H,21,24)
InChIKeyLSTOEFGNYNBVLZ-UHFFFAOYSA-N
MW357.48 g/mol
LogP3.54
Rot. Bonds6

About N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]-5-oxo-1-phenylpyrrolidine-2-carboxamide

N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]-5-oxo-1-phenylpyrrolidine-2-carboxamide (PubChem CID 110628574) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]-5-oxo-1-phenylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[3-methyl-1-(1,3-thiazol-2-yl)butyl]-5-oxo-1-phenylpyrrolidine-2-carboxamide
PubChem CID110628574
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC NameN-[3-methyl-1-(1,3-thiazol-2-yl)butyl]-5-oxo-1-phenylpyrrolidine-2-carboxamide
SMILESCC(C)CC(NC(=O)C1CCC(=O)N1c1ccccc1)c1nccs1
InChIInChI=1S/C19H23N3O2S/c1-13(2)12-15(19-20-10-11-25-19)21-18(24)16-8-9-17(23)22(16)14-6-4-3-5-7-14/h3-7,10-11,13,15-16H,8-9,12H2,1-2H3,(H,21,24)
InChIKeyLSTOEFGNYNBVLZ-UHFFFAOYSA-N
XLogP3.54
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]-5-oxo-1-phenylpyrrolidine-2-carboxamide?
The IUPAC name of N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]-5-oxo-1-phenylpyrrolidine-2-carboxamide (CID 110628574) is N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]-5-oxo-1-phenylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]-5-oxo-1-phenylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]-5-oxo-1-phenylpyrrolidine-2-carboxamide is CC(C)CC(NC(=O)C1CCC(=O)N1c1ccccc1)c1nccs1.
What is the InChIKey of N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]-5-oxo-1-phenylpyrrolidine-2-carboxamide?
The InChIKey is LSTOEFGNYNBVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2S/c1-13(2)12-15(19-20-10-11-25-19)21-18(24)16-8-9-17(23)22(16)14-6-4-3-5-7-14/h3-7,10-11,13,15-16H,8-9,12H2,1-2H3,(H,21,24).
What are the key properties of N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]-5-oxo-1-phenylpyrrolidine-2-carboxamide?
N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]-5-oxo-1-phenylpyrrolidine-2-carboxamide has a molecular weight of 357.48 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]-5-oxo-1-phenylpyrrolidine-2-carboxamide is sourced from PubChem (CID 110628574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).