2-(2-oxo-4-thiophen-3-yl-1,3-thiazol-3-yl)acetic acid

C9H7NO3S2 — CID 62090846

IUPAC2-(2-oxo-4-thiophen-3-yl-1,3-thiazol-3-yl)acetic acid
SMILESO=C(O)Cn1c(-c2ccsc2)csc1=O
InChIInChI=1S/C9H7NO3S2/c11-8(12)3-10-7(5-15-9(10)13)6-1-2-14-4-6/h1-2,4-5H,3H2,(H,11,12)
InChIKeyUKHJUISHMRHUCE-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.72
Rot. Bonds3

About 2-(2-oxo-4-thiophen-3-yl-1,3-thiazol-3-yl)acetic acid

2-(2-oxo-4-thiophen-3-yl-1,3-thiazol-3-yl)acetic acid (PubChem CID 62090846) has the molecular formula C9H7NO3S2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-(2-oxo-4-thiophen-3-yl-1,3-thiazol-3-yl)acetic acid.

Molecular Properties

Compound Name2-(2-oxo-4-thiophen-3-yl-1,3-thiazol-3-yl)acetic acid
PubChem CID62090846
Molecular FormulaC9H7NO3S2
Molecular Weight241.29 g/mol
Exact Mass240.99
IUPAC Name2-(2-oxo-4-thiophen-3-yl-1,3-thiazol-3-yl)acetic acid
SMILESO=C(O)Cn1c(-c2ccsc2)csc1=O
InChIInChI=1S/C9H7NO3S2/c11-8(12)3-10-7(5-15-9(10)13)6-1-2-14-4-6/h1-2,4-5H,3H2,(H,11,12)
InChIKeyUKHJUISHMRHUCE-UHFFFAOYSA-N
XLogP1.72
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-4-thiophen-3-yl-1,3-thiazol-3-yl)acetic acid?
The IUPAC name of 2-(2-oxo-4-thiophen-3-yl-1,3-thiazol-3-yl)acetic acid (CID 62090846) is 2-(2-oxo-4-thiophen-3-yl-1,3-thiazol-3-yl)acetic acid.
What is the SMILES notation for 2-(2-oxo-4-thiophen-3-yl-1,3-thiazol-3-yl)acetic acid?
The canonical SMILES for 2-(2-oxo-4-thiophen-3-yl-1,3-thiazol-3-yl)acetic acid is O=C(O)Cn1c(-c2ccsc2)csc1=O.
What is the InChIKey of 2-(2-oxo-4-thiophen-3-yl-1,3-thiazol-3-yl)acetic acid?
The InChIKey is UKHJUISHMRHUCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO3S2/c11-8(12)3-10-7(5-15-9(10)13)6-1-2-14-4-6/h1-2,4-5H,3H2,(H,11,12).
What are the key properties of 2-(2-oxo-4-thiophen-3-yl-1,3-thiazol-3-yl)acetic acid?
2-(2-oxo-4-thiophen-3-yl-1,3-thiazol-3-yl)acetic acid has a molecular weight of 241.29 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-4-thiophen-3-yl-1,3-thiazol-3-yl)acetic acid is sourced from PubChem (CID 62090846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).