N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide

C14H21N3O2S — CID 47317449

IUPACN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide
SMILESCCN1CC(C(=O)NC(C)c2sc(C)nc2C)CC1=O
InChIInChI=1S/C14H21N3O2S/c1-5-17-7-11(6-12(17)18)14(19)16-9(3)13-8(2)15-10(4)20-13/h9,11H,5-7H2,1-4H3,(H,16,19)
InChIKeyQTNMGCCXLQXXLP-UHFFFAOYSA-N
MW295.41 g/mol
LogP1.81
Rot. Bonds4

About N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide

N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 47317449) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide
PubChem CID47317449
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC NameN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide
SMILESCCN1CC(C(=O)NC(C)c2sc(C)nc2C)CC1=O
InChIInChI=1S/C14H21N3O2S/c1-5-17-7-11(6-12(17)18)14(19)16-9(3)13-8(2)15-10(4)20-13/h9,11H,5-7H2,1-4H3,(H,16,19)
InChIKeyQTNMGCCXLQXXLP-UHFFFAOYSA-N
XLogP1.81
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide (CID 47317449) is N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide is CCN1CC(C(=O)NC(C)c2sc(C)nc2C)CC1=O.
What is the InChIKey of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is QTNMGCCXLQXXLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-5-17-7-11(6-12(17)18)14(19)16-9(3)13-8(2)15-10(4)20-13/h9,11H,5-7H2,1-4H3,(H,16,19).
What are the key properties of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide?
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 295.41 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 47317449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).