2-[5-[5-[5-(carboxymethyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]acetic acid

C16H12O4S3 — CID 67286373

IUPAC2-[5-[5-[5-(carboxymethyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]acetic acid
SMILESO=C(O)Cc1ccc(-c2ccc(-c3ccc(CC(=O)O)s3)s2)s1
InChIInChI=1S/C16H12O4S3/c17-15(18)7-9-1-3-11(21-9)13-5-6-14(23-13)12-4-2-10(22-12)8-16(19)20/h1-6H,7-8H2,(H,17,18)(H,19,20)
InChIKeyLTSYZEUBNXOGRH-UHFFFAOYSA-N
MW364.47 g/mol
LogP4.46
Rot. Bonds6

About 2-[5-[5-[5-(carboxymethyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]acetic acid

2-[5-[5-[5-(carboxymethyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]acetic acid (PubChem CID 67286373) has the molecular formula C16H12O4S3 and a molecular weight of 364.47 g/mol. Its IUPAC name is 2-[5-[5-[5-(carboxymethyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[5-[5-(carboxymethyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]acetic acid
PubChem CID67286373
Molecular FormulaC16H12O4S3
Molecular Weight364.47 g/mol
Exact Mass363.99
IUPAC Name2-[5-[5-[5-(carboxymethyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]acetic acid
SMILESO=C(O)Cc1ccc(-c2ccc(-c3ccc(CC(=O)O)s3)s2)s1
InChIInChI=1S/C16H12O4S3/c17-15(18)7-9-1-3-11(21-9)13-5-6-14(23-13)12-4-2-10(22-12)8-16(19)20/h1-6H,7-8H2,(H,17,18)(H,19,20)
InChIKeyLTSYZEUBNXOGRH-UHFFFAOYSA-N
XLogP4.46
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[5-[5-(carboxymethyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]acetic acid?
The IUPAC name of 2-[5-[5-[5-(carboxymethyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]acetic acid (CID 67286373) is 2-[5-[5-[5-(carboxymethyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]acetic acid.
What is the SMILES notation for 2-[5-[5-[5-(carboxymethyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]acetic acid?
The canonical SMILES for 2-[5-[5-[5-(carboxymethyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]acetic acid is O=C(O)Cc1ccc(-c2ccc(-c3ccc(CC(=O)O)s3)s2)s1.
What is the InChIKey of 2-[5-[5-[5-(carboxymethyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]acetic acid?
The InChIKey is LTSYZEUBNXOGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O4S3/c17-15(18)7-9-1-3-11(21-9)13-5-6-14(23-13)12-4-2-10(22-12)8-16(19)20/h1-6H,7-8H2,(H,17,18)(H,19,20).
What are the key properties of 2-[5-[5-[5-(carboxymethyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]acetic acid?
2-[5-[5-[5-(carboxymethyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]acetic acid has a molecular weight of 364.47 g/mol, XLogP of 4.46, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[5-[5-(carboxymethyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]acetic acid is sourced from PubChem (CID 67286373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).