5-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid

C12H13NO3S2 — CID 64539640

IUPAC5-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid
SMILESCCOC(C)c1nc(-c2cc(C(=O)O)cs2)cs1
InChIInChI=1S/C12H13NO3S2/c1-3-16-7(2)11-13-9(6-18-11)10-4-8(5-17-10)12(14)15/h4-7H,3H2,1-2H3,(H,14,15)
InChIKeyHKUZLLLDXOCCGJ-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.67
Rot. Bonds5

About 5-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid

5-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid (PubChem CID 64539640) has the molecular formula C12H13NO3S2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 5-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid
PubChem CID64539640
Molecular FormulaC12H13NO3S2
Molecular Weight283.37 g/mol
Exact Mass283.03
IUPAC Name5-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid
SMILESCCOC(C)c1nc(-c2cc(C(=O)O)cs2)cs1
InChIInChI=1S/C12H13NO3S2/c1-3-16-7(2)11-13-9(6-18-11)10-4-8(5-17-10)12(14)15/h4-7H,3H2,1-2H3,(H,14,15)
InChIKeyHKUZLLLDXOCCGJ-UHFFFAOYSA-N
XLogP3.67
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid?
The IUPAC name of 5-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid (CID 64539640) is 5-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid.
What is the SMILES notation for 5-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid?
The canonical SMILES for 5-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid is CCOC(C)c1nc(-c2cc(C(=O)O)cs2)cs1.
What is the InChIKey of 5-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid?
The InChIKey is HKUZLLLDXOCCGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3S2/c1-3-16-7(2)11-13-9(6-18-11)10-4-8(5-17-10)12(14)15/h4-7H,3H2,1-2H3,(H,14,15).
What are the key properties of 5-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid?
5-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid has a molecular weight of 283.37 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid is sourced from PubChem (CID 64539640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).