(2S)-2-amino-5H-1,3-thiazole-2-carboxylic acid

C4H6N2O2S — CID 86307427

IUPAC(2S)-2-amino-5H-1,3-thiazole-2-carboxylic acid
SMILESN[C@@]1(C(=O)O)N=CCS1
InChIInChI=1S/C4H6N2O2S/c5-4(3(7)8)6-1-2-9-4/h1H,2,5H2,(H,7,8)/t4-/m0/s1
InChIKeyZZHIMBOXNFRSJE-BYPYZUCNSA-N
MW146.17 g/mol
LogP-0.50
Rot. Bonds1

About (2S)-2-amino-5H-1,3-thiazole-2-carboxylic acid

(2S)-2-amino-5H-1,3-thiazole-2-carboxylic acid (PubChem CID 86307427) has the molecular formula C4H6N2O2S and a molecular weight of 146.17 g/mol. Its IUPAC name is (2S)-2-amino-5H-1,3-thiazole-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-2-amino-5H-1,3-thiazole-2-carboxylic acid
PubChem CID86307427
Molecular FormulaC4H6N2O2S
Molecular Weight146.17 g/mol
Exact Mass146.01
IUPAC Name(2S)-2-amino-5H-1,3-thiazole-2-carboxylic acid
SMILESN[C@@]1(C(=O)O)N=CCS1
InChIInChI=1S/C4H6N2O2S/c5-4(3(7)8)6-1-2-9-4/h1H,2,5H2,(H,7,8)/t4-/m0/s1
InChIKeyZZHIMBOXNFRSJE-BYPYZUCNSA-N
XLogP-0.50
TPSA75.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.17
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-5H-1,3-thiazole-2-carboxylic acid?
The IUPAC name of (2S)-2-amino-5H-1,3-thiazole-2-carboxylic acid (CID 86307427) is (2S)-2-amino-5H-1,3-thiazole-2-carboxylic acid.
What is the SMILES notation for (2S)-2-amino-5H-1,3-thiazole-2-carboxylic acid?
The canonical SMILES for (2S)-2-amino-5H-1,3-thiazole-2-carboxylic acid is N[C@@]1(C(=O)O)N=CCS1.
What is the InChIKey of (2S)-2-amino-5H-1,3-thiazole-2-carboxylic acid?
The InChIKey is ZZHIMBOXNFRSJE-BYPYZUCNSA-N. The full InChI is InChI=1S/C4H6N2O2S/c5-4(3(7)8)6-1-2-9-4/h1H,2,5H2,(H,7,8)/t4-/m0/s1.
What are the key properties of (2S)-2-amino-5H-1,3-thiazole-2-carboxylic acid?
(2S)-2-amino-5H-1,3-thiazole-2-carboxylic acid has a molecular weight of 146.17 g/mol, XLogP of -0.50, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-5H-1,3-thiazole-2-carboxylic acid is sourced from PubChem (CID 86307427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).