ethane;5-methyl-1,3-thiazole-2-carboxylic acid

C7H11NO2S — CID 144810607

IUPACethane;5-methyl-1,3-thiazole-2-carboxylic acid
SMILESCC.Cc1cnc(C(=O)O)s1
InChIInChI=1S/C5H5NO2S.C2H6/c1-3-2-6-4(9-3)5(7)8;1-2/h2H,1H3,(H,7,8);1-2H3
InChIKeyABNZXKVAIMGSOG-UHFFFAOYSA-N
MW173.24 g/mol
LogP2.18
Rot. Bonds1

About ethane;5-methyl-1,3-thiazole-2-carboxylic acid

ethane;5-methyl-1,3-thiazole-2-carboxylic acid (PubChem CID 144810607) has the molecular formula C7H11NO2S and a molecular weight of 173.24 g/mol. Its IUPAC name is ethane;5-methyl-1,3-thiazole-2-carboxylic acid.

Molecular Properties

Compound Nameethane;5-methyl-1,3-thiazole-2-carboxylic acid
PubChem CID144810607
Molecular FormulaC7H11NO2S
Molecular Weight173.24 g/mol
Exact Mass173.05
IUPAC Nameethane;5-methyl-1,3-thiazole-2-carboxylic acid
SMILESCC.Cc1cnc(C(=O)O)s1
InChIInChI=1S/C5H5NO2S.C2H6/c1-3-2-6-4(9-3)5(7)8;1-2/h2H,1H3,(H,7,8);1-2H3
InChIKeyABNZXKVAIMGSOG-UHFFFAOYSA-N
XLogP2.18
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.24
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;5-methyl-1,3-thiazole-2-carboxylic acid?
The IUPAC name of ethane;5-methyl-1,3-thiazole-2-carboxylic acid (CID 144810607) is ethane;5-methyl-1,3-thiazole-2-carboxylic acid.
What is the SMILES notation for ethane;5-methyl-1,3-thiazole-2-carboxylic acid?
The canonical SMILES for ethane;5-methyl-1,3-thiazole-2-carboxylic acid is CC.Cc1cnc(C(=O)O)s1.
What is the InChIKey of ethane;5-methyl-1,3-thiazole-2-carboxylic acid?
The InChIKey is ABNZXKVAIMGSOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO2S.C2H6/c1-3-2-6-4(9-3)5(7)8;1-2/h2H,1H3,(H,7,8);1-2H3.
What are the key properties of ethane;5-methyl-1,3-thiazole-2-carboxylic acid?
ethane;5-methyl-1,3-thiazole-2-carboxylic acid has a molecular weight of 173.24 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methyl-1,3-thiazole-2-carboxylic acid is sourced from PubChem (CID 144810607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).