4-ethyl-2-methoxy-1,3-thiazole-5-carboxylic acid

C7H9NO3S — CID 19885472

IUPAC4-ethyl-2-methoxy-1,3-thiazole-5-carboxylic acid
SMILESCCc1nc(OC)sc1C(=O)O
InChIInChI=1S/C7H9NO3S/c1-3-4-5(6(9)10)12-7(8-4)11-2/h3H2,1-2H3,(H,9,10)
InChIKeySYFYDAYATRDJTN-UHFFFAOYSA-N
MW187.22 g/mol
LogP1.41
Rot. Bonds3

About 4-ethyl-2-methoxy-1,3-thiazole-5-carboxylic acid

4-ethyl-2-methoxy-1,3-thiazole-5-carboxylic acid (PubChem CID 19885472) has the molecular formula C7H9NO3S and a molecular weight of 187.22 g/mol. Its IUPAC name is 4-ethyl-2-methoxy-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-2-methoxy-1,3-thiazole-5-carboxylic acid
PubChem CID19885472
Molecular FormulaC7H9NO3S
Molecular Weight187.22 g/mol
Exact Mass187.03
IUPAC Name4-ethyl-2-methoxy-1,3-thiazole-5-carboxylic acid
SMILESCCc1nc(OC)sc1C(=O)O
InChIInChI=1S/C7H9NO3S/c1-3-4-5(6(9)10)12-7(8-4)11-2/h3H2,1-2H3,(H,9,10)
InChIKeySYFYDAYATRDJTN-UHFFFAOYSA-N
XLogP1.41
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.22
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-methoxy-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-ethyl-2-methoxy-1,3-thiazole-5-carboxylic acid (CID 19885472) is 4-ethyl-2-methoxy-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-ethyl-2-methoxy-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-ethyl-2-methoxy-1,3-thiazole-5-carboxylic acid is CCc1nc(OC)sc1C(=O)O.
What is the InChIKey of 4-ethyl-2-methoxy-1,3-thiazole-5-carboxylic acid?
The InChIKey is SYFYDAYATRDJTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3S/c1-3-4-5(6(9)10)12-7(8-4)11-2/h3H2,1-2H3,(H,9,10).
What are the key properties of 4-ethyl-2-methoxy-1,3-thiazole-5-carboxylic acid?
4-ethyl-2-methoxy-1,3-thiazole-5-carboxylic acid has a molecular weight of 187.22 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-methoxy-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 19885472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).