2-(ethoxymethyl)-1,3-thiazole-5-carboxylic acid

C7H9NO3S — CID 54129187

IUPAC2-(ethoxymethyl)-1,3-thiazole-5-carboxylic acid
SMILESCCOCc1ncc(C(=O)O)s1
InChIInChI=1S/C7H9NO3S/c1-2-11-4-6-8-3-5(12-6)7(9)10/h3H,2,4H2,1H3,(H,9,10)
InChIKeyNTCZCJAQYSSMQB-UHFFFAOYSA-N
MW187.22 g/mol
LogP1.38
Rot. Bonds4

About 2-(ethoxymethyl)-1,3-thiazole-5-carboxylic acid

2-(ethoxymethyl)-1,3-thiazole-5-carboxylic acid (PubChem CID 54129187) has the molecular formula C7H9NO3S and a molecular weight of 187.22 g/mol. Its IUPAC name is 2-(ethoxymethyl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(ethoxymethyl)-1,3-thiazole-5-carboxylic acid
PubChem CID54129187
Molecular FormulaC7H9NO3S
Molecular Weight187.22 g/mol
Exact Mass187.03
IUPAC Name2-(ethoxymethyl)-1,3-thiazole-5-carboxylic acid
SMILESCCOCc1ncc(C(=O)O)s1
InChIInChI=1S/C7H9NO3S/c1-2-11-4-6-8-3-5(12-6)7(9)10/h3H,2,4H2,1H3,(H,9,10)
InChIKeyNTCZCJAQYSSMQB-UHFFFAOYSA-N
XLogP1.38
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.22
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(ethoxymethyl)-1,3-thiazole-5-carboxylic acid (CID 54129187) is 2-(ethoxymethyl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(ethoxymethyl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(ethoxymethyl)-1,3-thiazole-5-carboxylic acid is CCOCc1ncc(C(=O)O)s1.
What is the InChIKey of 2-(ethoxymethyl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is NTCZCJAQYSSMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3S/c1-2-11-4-6-8-3-5(12-6)7(9)10/h3H,2,4H2,1H3,(H,9,10).
What are the key properties of 2-(ethoxymethyl)-1,3-thiazole-5-carboxylic acid?
2-(ethoxymethyl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 187.22 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 54129187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).