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

C7H10N2O2S — CID 53411174

IUPAC2-(2-amino-1,3-thiazol-4-yl)butanoic acid
SMILESCCC(C(=O)O)c1csc(N)n1
InChIInChI=1S/C7H10N2O2S/c1-2-4(6(10)11)5-3-12-7(8)9-5/h3-4H,2H2,1H3,(H2,8,9)(H,10,11)
InChIKeyDCXJOHHISHPREG-UHFFFAOYSA-N
MW186.24 g/mol
LogP1.30
Rot. Bonds3

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

2-(2-amino-1,3-thiazol-4-yl)butanoic acid (PubChem CID 53411174) has the molecular formula C7H10N2O2S and a molecular weight of 186.24 g/mol. Its IUPAC name is 2-(2-amino-1,3-thiazol-4-yl)butanoic acid.

Molecular Properties

Compound Name2-(2-amino-1,3-thiazol-4-yl)butanoic acid
PubChem CID53411174
Molecular FormulaC7H10N2O2S
Molecular Weight186.24 g/mol
Exact Mass186.05
IUPAC Name2-(2-amino-1,3-thiazol-4-yl)butanoic acid
SMILESCCC(C(=O)O)c1csc(N)n1
InChIInChI=1S/C7H10N2O2S/c1-2-4(6(10)11)5-3-12-7(8)9-5/h3-4H,2H2,1H3,(H2,8,9)(H,10,11)
InChIKeyDCXJOHHISHPREG-UHFFFAOYSA-N
XLogP1.30
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)butanoic acid?
The IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)butanoic acid (CID 53411174) is 2-(2-amino-1,3-thiazol-4-yl)butanoic acid.
What is the SMILES notation for 2-(2-amino-1,3-thiazol-4-yl)butanoic acid?
The canonical SMILES for 2-(2-amino-1,3-thiazol-4-yl)butanoic acid is CCC(C(=O)O)c1csc(N)n1.
What is the InChIKey of 2-(2-amino-1,3-thiazol-4-yl)butanoic acid?
The InChIKey is DCXJOHHISHPREG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S/c1-2-4(6(10)11)5-3-12-7(8)9-5/h3-4H,2H2,1H3,(H2,8,9)(H,10,11).
What are the key properties of 2-(2-amino-1,3-thiazol-4-yl)butanoic acid?
2-(2-amino-1,3-thiazol-4-yl)butanoic acid has a molecular weight of 186.24 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-1,3-thiazol-4-yl)butanoic acid is sourced from PubChem (CID 53411174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).