2-(5-bromothiophen-2-yl)-1,3-thiazolidine-4-carboxylic acid

C8H8BrNO2S2 — CID 4226682

IUPAC2-(5-bromothiophen-2-yl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSC(c2ccc(Br)s2)N1
InChIInChI=1S/C8H8BrNO2S2/c9-6-2-1-5(14-6)7-10-4(3-13-7)8(11)12/h1-2,4,7,10H,3H2,(H,11,12)
InChIKeyWGNQOIGKKSXSIJ-UHFFFAOYSA-N
MW294.20 g/mol
LogP2.30
Rot. Bonds2

About 2-(5-bromothiophen-2-yl)-1,3-thiazolidine-4-carboxylic acid

2-(5-bromothiophen-2-yl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 4226682) has the molecular formula C8H8BrNO2S2 and a molecular weight of 294.20 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID4226682
Molecular FormulaC8H8BrNO2S2
Molecular Weight294.20 g/mol
Exact Mass292.92
IUPAC Name2-(5-bromothiophen-2-yl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSC(c2ccc(Br)s2)N1
InChIInChI=1S/C8H8BrNO2S2/c9-6-2-1-5(14-6)7-10-4(3-13-7)8(11)12/h1-2,4,7,10H,3H2,(H,11,12)
InChIKeyWGNQOIGKKSXSIJ-UHFFFAOYSA-N
XLogP2.30
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.20
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-(5-bromothiophen-2-yl)-1,3-thiazolidine-4-carboxylic acid (CID 4226682) is 2-(5-bromothiophen-2-yl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-1,3-thiazolidine-4-carboxylic acid is O=C(O)C1CSC(c2ccc(Br)s2)N1.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is WGNQOIGKKSXSIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrNO2S2/c9-6-2-1-5(14-6)7-10-4(3-13-7)8(11)12/h1-2,4,7,10H,3H2,(H,11,12).
What are the key properties of 2-(5-bromothiophen-2-yl)-1,3-thiazolidine-4-carboxylic acid?
2-(5-bromothiophen-2-yl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 294.20 g/mol, XLogP of 2.30, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 4226682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).