2-(4-bromothiophen-2-yl)-1,3-thiazole-4-carboxylic acid

C8H4BrNO2S2 — CID 43140182

IUPAC2-(4-bromothiophen-2-yl)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(-c2cc(Br)cs2)n1
InChIInChI=1S/C8H4BrNO2S2/c9-4-1-6(13-2-4)7-10-5(3-14-7)8(11)12/h1-3H,(H,11,12)
InChIKeyRXIOPPXGGHBEDW-UHFFFAOYSA-N
MW290.16 g/mol
LogP3.33
Rot. Bonds2

About 2-(4-bromothiophen-2-yl)-1,3-thiazole-4-carboxylic acid

2-(4-bromothiophen-2-yl)-1,3-thiazole-4-carboxylic acid (PubChem CID 43140182) has the molecular formula C8H4BrNO2S2 and a molecular weight of 290.16 g/mol. Its IUPAC name is 2-(4-bromothiophen-2-yl)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(4-bromothiophen-2-yl)-1,3-thiazole-4-carboxylic acid
PubChem CID43140182
Molecular FormulaC8H4BrNO2S2
Molecular Weight290.16 g/mol
Exact Mass288.89
IUPAC Name2-(4-bromothiophen-2-yl)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(-c2cc(Br)cs2)n1
InChIInChI=1S/C8H4BrNO2S2/c9-4-1-6(13-2-4)7-10-5(3-14-7)8(11)12/h1-3H,(H,11,12)
InChIKeyRXIOPPXGGHBEDW-UHFFFAOYSA-N
XLogP3.33
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.16
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromothiophen-2-yl)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-(4-bromothiophen-2-yl)-1,3-thiazole-4-carboxylic acid (CID 43140182) is 2-(4-bromothiophen-2-yl)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(4-bromothiophen-2-yl)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-(4-bromothiophen-2-yl)-1,3-thiazole-4-carboxylic acid is O=C(O)c1csc(-c2cc(Br)cs2)n1.
What is the InChIKey of 2-(4-bromothiophen-2-yl)-1,3-thiazole-4-carboxylic acid?
The InChIKey is RXIOPPXGGHBEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrNO2S2/c9-4-1-6(13-2-4)7-10-5(3-14-7)8(11)12/h1-3H,(H,11,12).
What are the key properties of 2-(4-bromothiophen-2-yl)-1,3-thiazole-4-carboxylic acid?
2-(4-bromothiophen-2-yl)-1,3-thiazole-4-carboxylic acid has a molecular weight of 290.16 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromothiophen-2-yl)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 43140182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).