3-(3-chloro-2-fluorophenyl)-1,2-thiazole-5-carboxylic acid

C10H5ClFNO2S — CID 82808418

IUPAC3-(3-chloro-2-fluorophenyl)-1,2-thiazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2cccc(Cl)c2F)ns1
InChIInChI=1S/C10H5ClFNO2S/c11-6-3-1-2-5(9(6)12)7-4-8(10(14)15)16-13-7/h1-4H,(H,14,15)
InChIKeyBCWZGNPAQGBDQW-UHFFFAOYSA-N
MW257.67 g/mol
LogP3.30
Rot. Bonds2

About 3-(3-chloro-2-fluorophenyl)-1,2-thiazole-5-carboxylic acid

3-(3-chloro-2-fluorophenyl)-1,2-thiazole-5-carboxylic acid (PubChem CID 82808418) has the molecular formula C10H5ClFNO2S and a molecular weight of 257.67 g/mol. Its IUPAC name is 3-(3-chloro-2-fluorophenyl)-1,2-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(3-chloro-2-fluorophenyl)-1,2-thiazole-5-carboxylic acid
PubChem CID82808418
Molecular FormulaC10H5ClFNO2S
Molecular Weight257.67 g/mol
Exact Mass256.97
IUPAC Name3-(3-chloro-2-fluorophenyl)-1,2-thiazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2cccc(Cl)c2F)ns1
InChIInChI=1S/C10H5ClFNO2S/c11-6-3-1-2-5(9(6)12)7-4-8(10(14)15)16-13-7/h1-4H,(H,14,15)
InChIKeyBCWZGNPAQGBDQW-UHFFFAOYSA-N
XLogP3.30
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.67
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-2-fluorophenyl)-1,2-thiazole-5-carboxylic acid?
The IUPAC name of 3-(3-chloro-2-fluorophenyl)-1,2-thiazole-5-carboxylic acid (CID 82808418) is 3-(3-chloro-2-fluorophenyl)-1,2-thiazole-5-carboxylic acid.
What is the SMILES notation for 3-(3-chloro-2-fluorophenyl)-1,2-thiazole-5-carboxylic acid?
The canonical SMILES for 3-(3-chloro-2-fluorophenyl)-1,2-thiazole-5-carboxylic acid is O=C(O)c1cc(-c2cccc(Cl)c2F)ns1.
What is the InChIKey of 3-(3-chloro-2-fluorophenyl)-1,2-thiazole-5-carboxylic acid?
The InChIKey is BCWZGNPAQGBDQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClFNO2S/c11-6-3-1-2-5(9(6)12)7-4-8(10(14)15)16-13-7/h1-4H,(H,14,15).
What are the key properties of 3-(3-chloro-2-fluorophenyl)-1,2-thiazole-5-carboxylic acid?
3-(3-chloro-2-fluorophenyl)-1,2-thiazole-5-carboxylic acid has a molecular weight of 257.67 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-2-fluorophenyl)-1,2-thiazole-5-carboxylic acid is sourced from PubChem (CID 82808418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).