2-(2-thiomorpholin-4-yl-1,3-thiazol-4-yl)acetic acid

C9H12N2O2S2 — CID 80575369

IUPAC2-(2-thiomorpholin-4-yl-1,3-thiazol-4-yl)acetic acid
SMILESO=C(O)Cc1csc(N2CCSCC2)n1
InChIInChI=1S/C9H12N2O2S2/c12-8(13)5-7-6-15-9(10-7)11-1-3-14-4-2-11/h6H,1-5H2,(H,12,13)
InChIKeyBGGCSTDFRLJWOW-UHFFFAOYSA-N
MW244.34 g/mol
LogP1.32
Rot. Bonds3

About 2-(2-thiomorpholin-4-yl-1,3-thiazol-4-yl)acetic acid

2-(2-thiomorpholin-4-yl-1,3-thiazol-4-yl)acetic acid (PubChem CID 80575369) has the molecular formula C9H12N2O2S2 and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-(2-thiomorpholin-4-yl-1,3-thiazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-(2-thiomorpholin-4-yl-1,3-thiazol-4-yl)acetic acid
PubChem CID80575369
Molecular FormulaC9H12N2O2S2
Molecular Weight244.34 g/mol
Exact Mass244.03
IUPAC Name2-(2-thiomorpholin-4-yl-1,3-thiazol-4-yl)acetic acid
SMILESO=C(O)Cc1csc(N2CCSCC2)n1
InChIInChI=1S/C9H12N2O2S2/c12-8(13)5-7-6-15-9(10-7)11-1-3-14-4-2-11/h6H,1-5H2,(H,12,13)
InChIKeyBGGCSTDFRLJWOW-UHFFFAOYSA-N
XLogP1.32
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-phenyl-2-[2-(1,4-thiazepan-4-yl)-1,3-thiazol-4-yl]ethanone
CID 62751666
2-[2-(4-butan-2-ylpiperazin-1-yl)-1,3-thiazol-4-yl]acetic acid
CID 80576803
2-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1,3-thiazol-4-yl]acetic acid
CID 80576750
2-[2-(3,5-dimethylpiperidin-1-yl)-1,3-thiazol-4-yl]acetic acid
CID 80575566
2-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-1,3-thiazol-4-yl]acetic acid
CID 80576869
2-[2-(3-ethylsulfonylthiomorpholin-4-yl)-1,3-thiazol-4-yl]acetic acid
CID 80576521
2-[2-(2,5-dimethylpyrrol-1-yl)-1,3-thiazol-4-yl]acetic acid
CID 16793348
2-[2-(3-ethoxypiperidin-1-yl)-1,3-thiazol-4-yl]acetic acid
CID 80575700
2-[2-(2-methylpiperidin-1-yl)-1,3-thiazol-4-yl]acetic acid
CID 80575363
2-[2-(2-methylazepan-1-yl)-1,3-thiazol-4-yl]acetic acid
CID 80576345
2-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-1-phenylethanone
CID 62757081
ethyl 2-[2-(azepan-1-yl)-1,3-thiazol-4-yl]acetate
CID 80574155

Frequently Asked Questions

What is the IUPAC name of 2-(2-thiomorpholin-4-yl-1,3-thiazol-4-yl)acetic acid?
The IUPAC name of 2-(2-thiomorpholin-4-yl-1,3-thiazol-4-yl)acetic acid (CID 80575369) is 2-(2-thiomorpholin-4-yl-1,3-thiazol-4-yl)acetic acid.
What is the SMILES notation for 2-(2-thiomorpholin-4-yl-1,3-thiazol-4-yl)acetic acid?
The canonical SMILES for 2-(2-thiomorpholin-4-yl-1,3-thiazol-4-yl)acetic acid is O=C(O)Cc1csc(N2CCSCC2)n1.
What is the InChIKey of 2-(2-thiomorpholin-4-yl-1,3-thiazol-4-yl)acetic acid?
The InChIKey is BGGCSTDFRLJWOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2S2/c12-8(13)5-7-6-15-9(10-7)11-1-3-14-4-2-11/h6H,1-5H2,(H,12,13).
What are the key properties of 2-(2-thiomorpholin-4-yl-1,3-thiazol-4-yl)acetic acid?
2-(2-thiomorpholin-4-yl-1,3-thiazol-4-yl)acetic acid has a molecular weight of 244.34 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-thiomorpholin-4-yl-1,3-thiazol-4-yl)acetic acid is sourced from PubChem (CID 80575369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).