2-(2-amino-5-chloro-1,3-thiazol-4-yl)butanoic acid

C7H9ClN2O2S — CID 118524437

IUPAC2-(2-amino-5-chloro-1,3-thiazol-4-yl)butanoic acid
SMILESCCC(C(=O)O)c1nc(N)sc1Cl
InChIInChI=1S/C7H9ClN2O2S/c1-2-3(6(11)12)4-5(8)13-7(9)10-4/h3H,2H2,1H3,(H2,9,10)(H,11,12)
InChIKeyOLTKNFMJSDPDOB-UHFFFAOYSA-N
MW220.68 g/mol
LogP1.96
Rot. Bonds3

About 2-(2-amino-5-chloro-1,3-thiazol-4-yl)butanoic acid

2-(2-amino-5-chloro-1,3-thiazol-4-yl)butanoic acid (PubChem CID 118524437) has the molecular formula C7H9ClN2O2S and a molecular weight of 220.68 g/mol. Its IUPAC name is 2-(2-amino-5-chloro-1,3-thiazol-4-yl)butanoic acid.

Molecular Properties

Compound Name2-(2-amino-5-chloro-1,3-thiazol-4-yl)butanoic acid
PubChem CID118524437
Molecular FormulaC7H9ClN2O2S
Molecular Weight220.68 g/mol
Exact Mass220.01
IUPAC Name2-(2-amino-5-chloro-1,3-thiazol-4-yl)butanoic acid
SMILESCCC(C(=O)O)c1nc(N)sc1Cl
InChIInChI=1S/C7H9ClN2O2S/c1-2-3(6(11)12)4-5(8)13-7(9)10-4/h3H,2H2,1H3,(H2,9,10)(H,11,12)
InChIKeyOLTKNFMJSDPDOB-UHFFFAOYSA-N
XLogP1.96
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.68
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-chloro-1,3-thiazol-4-yl)butanoic acid?
The IUPAC name of 2-(2-amino-5-chloro-1,3-thiazol-4-yl)butanoic acid (CID 118524437) is 2-(2-amino-5-chloro-1,3-thiazol-4-yl)butanoic acid.
What is the SMILES notation for 2-(2-amino-5-chloro-1,3-thiazol-4-yl)butanoic acid?
The canonical SMILES for 2-(2-amino-5-chloro-1,3-thiazol-4-yl)butanoic acid is CCC(C(=O)O)c1nc(N)sc1Cl.
What is the InChIKey of 2-(2-amino-5-chloro-1,3-thiazol-4-yl)butanoic acid?
The InChIKey is OLTKNFMJSDPDOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2O2S/c1-2-3(6(11)12)4-5(8)13-7(9)10-4/h3H,2H2,1H3,(H2,9,10)(H,11,12).
What are the key properties of 2-(2-amino-5-chloro-1,3-thiazol-4-yl)butanoic acid?
2-(2-amino-5-chloro-1,3-thiazol-4-yl)butanoic acid has a molecular weight of 220.68 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-chloro-1,3-thiazol-4-yl)butanoic acid is sourced from PubChem (CID 118524437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).