2-[2-(3-ethylsulfonylthiomorpholin-4-yl)-1,3-thiazol-4-yl]acetic acid

C11H16N2O4S3 — CID 80576521

IUPAC2-[2-(3-ethylsulfonylthiomorpholin-4-yl)-1,3-thiazol-4-yl]acetic acid
SMILESCCS(=O)(=O)C1CSCCN1c1nc(CC(=O)O)cs1
InChIInChI=1S/C11H16N2O4S3/c1-2-20(16,17)9-7-18-4-3-13(9)11-12-8(6-19-11)5-10(14)15/h6,9H,2-5,7H2,1H3,(H,14,15)
InChIKeyZBPHUJLFSNAPEN-UHFFFAOYSA-N
MW336.46 g/mol
LogP1.08
Rot. Bonds5

About 2-[2-(3-ethylsulfonylthiomorpholin-4-yl)-1,3-thiazol-4-yl]acetic acid

2-[2-(3-ethylsulfonylthiomorpholin-4-yl)-1,3-thiazol-4-yl]acetic acid (PubChem CID 80576521) has the molecular formula C11H16N2O4S3 and a molecular weight of 336.46 g/mol. Its IUPAC name is 2-[2-(3-ethylsulfonylthiomorpholin-4-yl)-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(3-ethylsulfonylthiomorpholin-4-yl)-1,3-thiazol-4-yl]acetic acid
PubChem CID80576521
Molecular FormulaC11H16N2O4S3
Molecular Weight336.46 g/mol
Exact Mass336.03
IUPAC Name2-[2-(3-ethylsulfonylthiomorpholin-4-yl)-1,3-thiazol-4-yl]acetic acid
SMILESCCS(=O)(=O)C1CSCCN1c1nc(CC(=O)O)cs1
InChIInChI=1S/C11H16N2O4S3/c1-2-20(16,17)9-7-18-4-3-13(9)11-12-8(6-19-11)5-10(14)15/h6,9H,2-5,7H2,1H3,(H,14,15)
InChIKeyZBPHUJLFSNAPEN-UHFFFAOYSA-N
XLogP1.08
TPSA87.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[2-(3-ethylsulfonylthiomorpholin-4-yl)-1,3-thiazol-4-yl]acetic acid with MolForge

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

Launch Full Analysis

Related Compounds

[2-(3-ethylsulfonylthiomorpholin-4-yl)-1,3-thiazol-4-yl]methanamine
CID 66375813
2-(2-thiomorpholin-4-yl-1,3-thiazol-4-yl)acetic acid
CID 80575369
N-[[2-(3-methylsulfonylthiomorpholin-4-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 66384396
2-(3-ethylsulfonylthiomorpholin-4-yl)benzoic acid
CID 66377379
2-[2-(2-methylpiperidin-1-yl)-1,3-thiazol-4-yl]acetic acid
CID 80575363
[2-(3-ethylsulfonylthiomorpholin-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
CID 79383590
2-[2-(2-methylazepan-1-yl)-1,3-thiazol-4-yl]acetic acid
CID 80576345
4-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-3-ethylsulfonylthiomorpholine
CID 66378095
methyl 3-[2-(3-methylthiomorpholin-4-yl)-1,3-thiazol-4-yl]propanoate
CID 107040403
5-bromo-2-(3-ethylsulfonylthiomorpholin-4-yl)pyridine-3-carboxylic acid
CID 66377186
2-[2-(2-ethyl-3,5-dioxopiperazin-1-yl)-1,3-thiazol-4-yl]acetic acid
CID 80576560
[2-(3-ethylsulfonylthiomorpholin-4-yl)-3-pyridinyl]methanol
CID 66376741

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-ethylsulfonylthiomorpholin-4-yl)-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-(3-ethylsulfonylthiomorpholin-4-yl)-1,3-thiazol-4-yl]acetic acid (CID 80576521) is 2-[2-(3-ethylsulfonylthiomorpholin-4-yl)-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-(3-ethylsulfonylthiomorpholin-4-yl)-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-(3-ethylsulfonylthiomorpholin-4-yl)-1,3-thiazol-4-yl]acetic acid is CCS(=O)(=O)C1CSCCN1c1nc(CC(=O)O)cs1.
What is the InChIKey of 2-[2-(3-ethylsulfonylthiomorpholin-4-yl)-1,3-thiazol-4-yl]acetic acid?
The InChIKey is ZBPHUJLFSNAPEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S3/c1-2-20(16,17)9-7-18-4-3-13(9)11-12-8(6-19-11)5-10(14)15/h6,9H,2-5,7H2,1H3,(H,14,15).
What are the key properties of 2-[2-(3-ethylsulfonylthiomorpholin-4-yl)-1,3-thiazol-4-yl]acetic acid?
2-[2-(3-ethylsulfonylthiomorpholin-4-yl)-1,3-thiazol-4-yl]acetic acid has a molecular weight of 336.46 g/mol, XLogP of 1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-ethylsulfonylthiomorpholin-4-yl)-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 80576521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).