azane;5-hydroxy-2H-1,3-thiazole-3-carboxylic acid

C4H8N2O3S — CID 68952110

IUPACazane;5-hydroxy-2H-1,3-thiazole-3-carboxylic acid
SMILESN.O=C(O)N1C=C(O)SC1
InChIInChI=1S/C4H5NO3S.H3N/c6-3-1-5(2-9-3)4(7)8;/h1,6H,2H2,(H,7,8);1H3
InChIKeyRYAHWPPSWYUBBV-UHFFFAOYSA-N
MW164.19 g/mol
LogP1.19
Rot. Bonds

About azane;5-hydroxy-2H-1,3-thiazole-3-carboxylic acid

azane;5-hydroxy-2H-1,3-thiazole-3-carboxylic acid (PubChem CID 68952110) has the molecular formula C4H8N2O3S and a molecular weight of 164.19 g/mol. Its IUPAC name is azane;5-hydroxy-2H-1,3-thiazole-3-carboxylic acid.

Molecular Properties

Compound Nameazane;5-hydroxy-2H-1,3-thiazole-3-carboxylic acid
PubChem CID68952110
Molecular FormulaC4H8N2O3S
Molecular Weight164.19 g/mol
Exact Mass164.03
IUPAC Nameazane;5-hydroxy-2H-1,3-thiazole-3-carboxylic acid
SMILESN.O=C(O)N1C=C(O)SC1
InChIInChI=1S/C4H5NO3S.H3N/c6-3-1-5(2-9-3)4(7)8;/h1,6H,2H2,(H,7,8);1H3
InChIKeyRYAHWPPSWYUBBV-UHFFFAOYSA-N
XLogP1.19
TPSA95.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.19
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of azane;5-hydroxy-2H-1,3-thiazole-3-carboxylic acid?
The IUPAC name of azane;5-hydroxy-2H-1,3-thiazole-3-carboxylic acid (CID 68952110) is azane;5-hydroxy-2H-1,3-thiazole-3-carboxylic acid.
What is the SMILES notation for azane;5-hydroxy-2H-1,3-thiazole-3-carboxylic acid?
The canonical SMILES for azane;5-hydroxy-2H-1,3-thiazole-3-carboxylic acid is N.O=C(O)N1C=C(O)SC1.
What is the InChIKey of azane;5-hydroxy-2H-1,3-thiazole-3-carboxylic acid?
The InChIKey is RYAHWPPSWYUBBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO3S.H3N/c6-3-1-5(2-9-3)4(7)8;/h1,6H,2H2,(H,7,8);1H3.
What are the key properties of azane;5-hydroxy-2H-1,3-thiazole-3-carboxylic acid?
azane;5-hydroxy-2H-1,3-thiazole-3-carboxylic acid has a molecular weight of 164.19 g/mol, XLogP of 1.19, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;5-hydroxy-2H-1,3-thiazole-3-carboxylic acid is sourced from PubChem (CID 68952110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).