(4S)-1-(2-methoxyethyl)-4-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one

C15H22N4O3S — CID 94047038

IUPAC(4S)-1-(2-methoxyethyl)-4-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one
SMILESCOCCN1C[C@@H](C(=O)N2CCN(c3nccs3)CC2)CC1=O
InChIInChI=1S/C15H22N4O3S/c1-22-8-7-19-11-12(10-13(19)20)14(21)17-3-5-18(6-4-17)15-16-2-9-23-15/h2,9,12H,3-8,10-11H2,1H3/t12-/m0/s1
InChIKeyPAQYKBJGGOXXDX-LBPRGKRZSA-N
MW338.43 g/mol
LogP0.29
Rot. Bonds5

About (4S)-1-(2-methoxyethyl)-4-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one

(4S)-1-(2-methoxyethyl)-4-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one (PubChem CID 94047038) has the molecular formula C15H22N4O3S and a molecular weight of 338.43 g/mol. Its IUPAC name is (4S)-1-(2-methoxyethyl)-4-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-1-(2-methoxyethyl)-4-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one
PubChem CID94047038
Molecular FormulaC15H22N4O3S
Molecular Weight338.43 g/mol
Exact Mass338.14
IUPAC Name(4S)-1-(2-methoxyethyl)-4-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one
SMILESCOCCN1C[C@@H](C(=O)N2CCN(c3nccs3)CC2)CC1=O
InChIInChI=1S/C15H22N4O3S/c1-22-8-7-19-11-12(10-13(19)20)14(21)17-3-5-18(6-4-17)15-16-2-9-23-15/h2,9,12H,3-8,10-11H2,1H3/t12-/m0/s1
InChIKeyPAQYKBJGGOXXDX-LBPRGKRZSA-N
XLogP0.29
TPSA65.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (4S)-1-(2-methoxyethyl)-4-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4S)-1-(2-methoxyethyl)-4-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of (4S)-1-(2-methoxyethyl)-4-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one (CID 94047038) is (4S)-1-(2-methoxyethyl)-4-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for (4S)-1-(2-methoxyethyl)-4-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for (4S)-1-(2-methoxyethyl)-4-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one is COCCN1C[C@@H](C(=O)N2CCN(c3nccs3)CC2)CC1=O.
What is the InChIKey of (4S)-1-(2-methoxyethyl)-4-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is PAQYKBJGGOXXDX-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H22N4O3S/c1-22-8-7-19-11-12(10-13(19)20)14(21)17-3-5-18(6-4-17)15-16-2-9-23-15/h2,9,12H,3-8,10-11H2,1H3/t12-/m0/s1.
What are the key properties of (4S)-1-(2-methoxyethyl)-4-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one?
(4S)-1-(2-methoxyethyl)-4-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 338.43 g/mol, XLogP of 0.29, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-(2-methoxyethyl)-4-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 94047038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).