2-[5-[2-(2-methoxyethyl)-1,3-thiazol-4-yl]thiophen-2-yl]acetic acid

C12H13NO3S2 — CID 55189810

IUPAC2-[5-[2-(2-methoxyethyl)-1,3-thiazol-4-yl]thiophen-2-yl]acetic acid
SMILESCOCCc1nc(-c2ccc(CC(=O)O)s2)cs1
InChIInChI=1S/C12H13NO3S2/c1-16-5-4-11-13-9(7-17-11)10-3-2-8(18-10)6-12(14)15/h2-3,7H,4-6H2,1H3,(H,14,15)
InChIKeyWEWJAHHSIAABJO-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.69
Rot. Bonds6

About 2-[5-[2-(2-methoxyethyl)-1,3-thiazol-4-yl]thiophen-2-yl]acetic acid

2-[5-[2-(2-methoxyethyl)-1,3-thiazol-4-yl]thiophen-2-yl]acetic acid (PubChem CID 55189810) has the molecular formula C12H13NO3S2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-[5-[2-(2-methoxyethyl)-1,3-thiazol-4-yl]thiophen-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[2-(2-methoxyethyl)-1,3-thiazol-4-yl]thiophen-2-yl]acetic acid
PubChem CID55189810
Molecular FormulaC12H13NO3S2
Molecular Weight283.37 g/mol
Exact Mass283.03
IUPAC Name2-[5-[2-(2-methoxyethyl)-1,3-thiazol-4-yl]thiophen-2-yl]acetic acid
SMILESCOCCc1nc(-c2ccc(CC(=O)O)s2)cs1
InChIInChI=1S/C12H13NO3S2/c1-16-5-4-11-13-9(7-17-11)10-3-2-8(18-10)6-12(14)15/h2-3,7H,4-6H2,1H3,(H,14,15)
InChIKeyWEWJAHHSIAABJO-UHFFFAOYSA-N
XLogP2.69
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-(2-methoxyethyl)-1,3-thiazol-4-yl]thiophen-2-yl]acetic acid?
The IUPAC name of 2-[5-[2-(2-methoxyethyl)-1,3-thiazol-4-yl]thiophen-2-yl]acetic acid (CID 55189810) is 2-[5-[2-(2-methoxyethyl)-1,3-thiazol-4-yl]thiophen-2-yl]acetic acid.
What is the SMILES notation for 2-[5-[2-(2-methoxyethyl)-1,3-thiazol-4-yl]thiophen-2-yl]acetic acid?
The canonical SMILES for 2-[5-[2-(2-methoxyethyl)-1,3-thiazol-4-yl]thiophen-2-yl]acetic acid is COCCc1nc(-c2ccc(CC(=O)O)s2)cs1.
What is the InChIKey of 2-[5-[2-(2-methoxyethyl)-1,3-thiazol-4-yl]thiophen-2-yl]acetic acid?
The InChIKey is WEWJAHHSIAABJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3S2/c1-16-5-4-11-13-9(7-17-11)10-3-2-8(18-10)6-12(14)15/h2-3,7H,4-6H2,1H3,(H,14,15).
What are the key properties of 2-[5-[2-(2-methoxyethyl)-1,3-thiazol-4-yl]thiophen-2-yl]acetic acid?
2-[5-[2-(2-methoxyethyl)-1,3-thiazol-4-yl]thiophen-2-yl]acetic acid has a molecular weight of 283.37 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-(2-methoxyethyl)-1,3-thiazol-4-yl]thiophen-2-yl]acetic acid is sourced from PubChem (CID 55189810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).