N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide

C15H23N3O2S — CID 70708028

IUPACN-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
SMILESCCc1csc(CCNC(=O)C2CC(=O)N(C(C)C)C2)n1
InChIInChI=1S/C15H23N3O2S/c1-4-12-9-21-13(17-12)5-6-16-15(20)11-7-14(19)18(8-11)10(2)3/h9-11H,4-8H2,1-3H3,(H,16,20)
InChIKeyNSOJAZCWMQVARA-UHFFFAOYSA-N
MW309.44 g/mol
LogP1.62
Rot. Bonds6

About N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide

N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 70708028) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID70708028
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC NameN-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
SMILESCCc1csc(CCNC(=O)C2CC(=O)N(C(C)C)C2)n1
InChIInChI=1S/C15H23N3O2S/c1-4-12-9-21-13(17-12)5-6-16-15(20)11-7-14(19)18(8-11)10(2)3/h9-11H,4-8H2,1-3H3,(H,16,20)
InChIKeyNSOJAZCWMQVARA-UHFFFAOYSA-N
XLogP1.62
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide (CID 70708028) is N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide is CCc1csc(CCNC(=O)C2CC(=O)N(C(C)C)C2)n1.
What is the InChIKey of N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is NSOJAZCWMQVARA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-4-12-9-21-13(17-12)5-6-16-15(20)11-7-14(19)18(8-11)10(2)3/h9-11H,4-8H2,1-3H3,(H,16,20).
What are the key properties of N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 309.44 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 70708028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).