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

C8H12N2O2S — CID 87353061

IUPAC2-(2-amino-1,3-thiazol-4-yl)pentanoic acid
SMILESCCCC(C(=O)O)c1csc(N)n1
InChIInChI=1S/C8H12N2O2S/c1-2-3-5(7(11)12)6-4-13-8(9)10-6/h4-5H,2-3H2,1H3,(H2,9,10)(H,11,12)
InChIKeyLMKXJEYVZZHVLK-UHFFFAOYSA-N
MW200.26 g/mol
LogP1.69
Rot. Bonds4

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

2-(2-amino-1,3-thiazol-4-yl)pentanoic acid (PubChem CID 87353061) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is 2-(2-amino-1,3-thiazol-4-yl)pentanoic acid.

Molecular Properties

Compound Name2-(2-amino-1,3-thiazol-4-yl)pentanoic acid
PubChem CID87353061
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC Name2-(2-amino-1,3-thiazol-4-yl)pentanoic acid
SMILESCCCC(C(=O)O)c1csc(N)n1
InChIInChI=1S/C8H12N2O2S/c1-2-3-5(7(11)12)6-4-13-8(9)10-6/h4-5H,2-3H2,1H3,(H2,9,10)(H,11,12)
InChIKeyLMKXJEYVZZHVLK-UHFFFAOYSA-N
XLogP1.69
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 51.69
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)pentanoic acid?
The IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)pentanoic acid (CID 87353061) is 2-(2-amino-1,3-thiazol-4-yl)pentanoic acid.
What is the SMILES notation for 2-(2-amino-1,3-thiazol-4-yl)pentanoic acid?
The canonical SMILES for 2-(2-amino-1,3-thiazol-4-yl)pentanoic acid is CCCC(C(=O)O)c1csc(N)n1.
What is the InChIKey of 2-(2-amino-1,3-thiazol-4-yl)pentanoic acid?
The InChIKey is LMKXJEYVZZHVLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S/c1-2-3-5(7(11)12)6-4-13-8(9)10-6/h4-5H,2-3H2,1H3,(H2,9,10)(H,11,12).
What are the key properties of 2-(2-amino-1,3-thiazol-4-yl)pentanoic acid?
2-(2-amino-1,3-thiazol-4-yl)pentanoic acid has a molecular weight of 200.26 g/mol, XLogP of 1.69, 4 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)pentanoic acid is sourced from PubChem (CID 87353061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).