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

C13H9NO2S3 — CID 55189634

IUPAC2-[5-(2-thiophen-3-yl-1,3-thiazol-4-yl)thiophen-2-yl]acetic acid
SMILESO=C(O)Cc1ccc(-c2csc(-c3ccsc3)n2)s1
InChIInChI=1S/C13H9NO2S3/c15-12(16)5-9-1-2-11(19-9)10-7-18-13(14-10)8-3-4-17-6-8/h1-4,6-7H,5H2,(H,15,16)
InChIKeyGZOUQQQQGVGMSP-UHFFFAOYSA-N
MW307.42 g/mol
LogP4.23
Rot. Bonds4

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

2-[5-(2-thiophen-3-yl-1,3-thiazol-4-yl)thiophen-2-yl]acetic acid (PubChem CID 55189634) has the molecular formula C13H9NO2S3 and a molecular weight of 307.42 g/mol. Its IUPAC name is 2-[5-(2-thiophen-3-yl-1,3-thiazol-4-yl)thiophen-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(2-thiophen-3-yl-1,3-thiazol-4-yl)thiophen-2-yl]acetic acid
PubChem CID55189634
Molecular FormulaC13H9NO2S3
Molecular Weight307.42 g/mol
Exact Mass306.98
IUPAC Name2-[5-(2-thiophen-3-yl-1,3-thiazol-4-yl)thiophen-2-yl]acetic acid
SMILESO=C(O)Cc1ccc(-c2csc(-c3ccsc3)n2)s1
InChIInChI=1S/C13H9NO2S3/c15-12(16)5-9-1-2-11(19-9)10-7-18-13(14-10)8-3-4-17-6-8/h1-4,6-7H,5H2,(H,15,16)
InChIKeyGZOUQQQQGVGMSP-UHFFFAOYSA-N
XLogP4.23
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-thiophen-3-yl-1,3-thiazol-4-yl)thiophen-2-yl]acetic acid?
The IUPAC name of 2-[5-(2-thiophen-3-yl-1,3-thiazol-4-yl)thiophen-2-yl]acetic acid (CID 55189634) is 2-[5-(2-thiophen-3-yl-1,3-thiazol-4-yl)thiophen-2-yl]acetic acid.
What is the SMILES notation for 2-[5-(2-thiophen-3-yl-1,3-thiazol-4-yl)thiophen-2-yl]acetic acid?
The canonical SMILES for 2-[5-(2-thiophen-3-yl-1,3-thiazol-4-yl)thiophen-2-yl]acetic acid is O=C(O)Cc1ccc(-c2csc(-c3ccsc3)n2)s1.
What is the InChIKey of 2-[5-(2-thiophen-3-yl-1,3-thiazol-4-yl)thiophen-2-yl]acetic acid?
The InChIKey is GZOUQQQQGVGMSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO2S3/c15-12(16)5-9-1-2-11(19-9)10-7-18-13(14-10)8-3-4-17-6-8/h1-4,6-7H,5H2,(H,15,16).
What are the key properties of 2-[5-(2-thiophen-3-yl-1,3-thiazol-4-yl)thiophen-2-yl]acetic acid?
2-[5-(2-thiophen-3-yl-1,3-thiazol-4-yl)thiophen-2-yl]acetic acid has a molecular weight of 307.42 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-thiophen-3-yl-1,3-thiazol-4-yl)thiophen-2-yl]acetic acid is sourced from PubChem (CID 55189634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).