N-(2-methoxyethyl)-2-[(2S)-1-methyl-3-oxopiperazin-2-yl]-N-(1,3-thiazol-2-ylmethyl)acetamide

C14H22N4O3S — CID 95715933

IUPACN-(2-methoxyethyl)-2-[(2S)-1-methyl-3-oxopiperazin-2-yl]-N-(1,3-thiazol-2-ylmethyl)acetamide
SMILESCOCCN(Cc1nccs1)C(=O)C[C@H]1C(=O)NCCN1C
InChIInChI=1S/C14H22N4O3S/c1-17-5-3-16-14(20)11(17)9-13(19)18(6-7-21-2)10-12-15-4-8-22-12/h4,8,11H,3,5-7,9-10H2,1-2H3,(H,16,20)/t11-/m0/s1
InChIKeyFINWIVGZIUCAIW-NSHDSACASA-N
MW326.42 g/mol
LogP-0.06
Rot. Bonds7

About N-(2-methoxyethyl)-2-[(2S)-1-methyl-3-oxopiperazin-2-yl]-N-(1,3-thiazol-2-ylmethyl)acetamide

N-(2-methoxyethyl)-2-[(2S)-1-methyl-3-oxopiperazin-2-yl]-N-(1,3-thiazol-2-ylmethyl)acetamide (PubChem CID 95715933) has the molecular formula C14H22N4O3S and a molecular weight of 326.42 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[(2S)-1-methyl-3-oxopiperazin-2-yl]-N-(1,3-thiazol-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[(2S)-1-methyl-3-oxopiperazin-2-yl]-N-(1,3-thiazol-2-ylmethyl)acetamide
PubChem CID95715933
Molecular FormulaC14H22N4O3S
Molecular Weight326.42 g/mol
Exact Mass326.14
IUPAC NameN-(2-methoxyethyl)-2-[(2S)-1-methyl-3-oxopiperazin-2-yl]-N-(1,3-thiazol-2-ylmethyl)acetamide
SMILESCOCCN(Cc1nccs1)C(=O)C[C@H]1C(=O)NCCN1C
InChIInChI=1S/C14H22N4O3S/c1-17-5-3-16-14(20)11(17)9-13(19)18(6-7-21-2)10-12-15-4-8-22-12/h4,8,11H,3,5-7,9-10H2,1-2H3,(H,16,20)/t11-/m0/s1
InChIKeyFINWIVGZIUCAIW-NSHDSACASA-N
XLogP-0.06
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(2-methoxyethyl)-2-[(2S)-1-methyl-3-oxopiperazin-2-yl]-N-(1,3-thiazol-2-ylmethyl)acetamide 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 N-(2-methoxyethyl)-2-[(2S)-1-methyl-3-oxopiperazin-2-yl]-N-(1,3-thiazol-2-ylmethyl)acetamide?
The IUPAC name of N-(2-methoxyethyl)-2-[(2S)-1-methyl-3-oxopiperazin-2-yl]-N-(1,3-thiazol-2-ylmethyl)acetamide (CID 95715933) is N-(2-methoxyethyl)-2-[(2S)-1-methyl-3-oxopiperazin-2-yl]-N-(1,3-thiazol-2-ylmethyl)acetamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-[(2S)-1-methyl-3-oxopiperazin-2-yl]-N-(1,3-thiazol-2-ylmethyl)acetamide?
The canonical SMILES for N-(2-methoxyethyl)-2-[(2S)-1-methyl-3-oxopiperazin-2-yl]-N-(1,3-thiazol-2-ylmethyl)acetamide is COCCN(Cc1nccs1)C(=O)C[C@H]1C(=O)NCCN1C.
What is the InChIKey of N-(2-methoxyethyl)-2-[(2S)-1-methyl-3-oxopiperazin-2-yl]-N-(1,3-thiazol-2-ylmethyl)acetamide?
The InChIKey is FINWIVGZIUCAIW-NSHDSACASA-N. The full InChI is InChI=1S/C14H22N4O3S/c1-17-5-3-16-14(20)11(17)9-13(19)18(6-7-21-2)10-12-15-4-8-22-12/h4,8,11H,3,5-7,9-10H2,1-2H3,(H,16,20)/t11-/m0/s1.
What are the key properties of N-(2-methoxyethyl)-2-[(2S)-1-methyl-3-oxopiperazin-2-yl]-N-(1,3-thiazol-2-ylmethyl)acetamide?
N-(2-methoxyethyl)-2-[(2S)-1-methyl-3-oxopiperazin-2-yl]-N-(1,3-thiazol-2-ylmethyl)acetamide has a molecular weight of 326.42 g/mol, XLogP of -0.06, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-[(2S)-1-methyl-3-oxopiperazin-2-yl]-N-(1,3-thiazol-2-ylmethyl)acetamide is sourced from PubChem (CID 95715933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).