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

C13H19N3O3S — CID 47355740

IUPAC1-(2-methoxyethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOCCN1CC(C(=O)NCc2csc(C)n2)CC1=O
InChIInChI=1S/C13H19N3O3S/c1-9-15-11(8-20-9)6-14-13(18)10-5-12(17)16(7-10)3-4-19-2/h8,10H,3-7H2,1-2H3,(H,14,18)
InChIKeyHQMKPTNISFPPKX-UHFFFAOYSA-N
MW297.38 g/mol
LogP0.56
Rot. Bonds6

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

1-(2-methoxyethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 47355740) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID47355740
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC Name1-(2-methoxyethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOCCN1CC(C(=O)NCc2csc(C)n2)CC1=O
InChIInChI=1S/C13H19N3O3S/c1-9-15-11(8-20-9)6-14-13(18)10-5-12(17)16(7-10)3-4-19-2/h8,10H,3-7H2,1-2H3,(H,14,18)
InChIKeyHQMKPTNISFPPKX-UHFFFAOYSA-N
XLogP0.56
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-methoxyethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide (CID 47355740) is 1-(2-methoxyethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-methoxyethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-methoxyethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide is COCCN1CC(C(=O)NCc2csc(C)n2)CC1=O.
What is the InChIKey of 1-(2-methoxyethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is HQMKPTNISFPPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-9-15-11(8-20-9)6-14-13(18)10-5-12(17)16(7-10)3-4-19-2/h8,10H,3-7H2,1-2H3,(H,14,18).
What are the key properties of 1-(2-methoxyethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
1-(2-methoxyethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 297.38 g/mol, XLogP of 0.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 47355740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).