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

C10H5ClFNO2S — CID 63034748

IUPAC2-(3-chloro-2-fluorophenyl)-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1cnc(-c2cccc(Cl)c2F)s1
InChIInChI=1S/C10H5ClFNO2S/c11-6-3-1-2-5(8(6)12)9-13-4-7(16-9)10(14)15/h1-4H,(H,14,15)
InChIKeyIVLAOQTXDNIAIO-UHFFFAOYSA-N
MW257.67 g/mol
LogP3.30
Rot. Bonds2

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

2-(3-chloro-2-fluorophenyl)-1,3-thiazole-5-carboxylic acid (PubChem CID 63034748) has the molecular formula C10H5ClFNO2S and a molecular weight of 257.67 g/mol. Its IUPAC name is 2-(3-chloro-2-fluorophenyl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(3-chloro-2-fluorophenyl)-1,3-thiazole-5-carboxylic acid
PubChem CID63034748
Molecular FormulaC10H5ClFNO2S
Molecular Weight257.67 g/mol
Exact Mass256.97
IUPAC Name2-(3-chloro-2-fluorophenyl)-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1cnc(-c2cccc(Cl)c2F)s1
InChIInChI=1S/C10H5ClFNO2S/c11-6-3-1-2-5(8(6)12)9-13-4-7(16-9)10(14)15/h1-4H,(H,14,15)
InChIKeyIVLAOQTXDNIAIO-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 2-(3-chloro-2-fluorophenyl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(3-chloro-2-fluorophenyl)-1,3-thiazole-5-carboxylic acid (CID 63034748) is 2-(3-chloro-2-fluorophenyl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(3-chloro-2-fluorophenyl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(3-chloro-2-fluorophenyl)-1,3-thiazole-5-carboxylic acid is O=C(O)c1cnc(-c2cccc(Cl)c2F)s1.
What is the InChIKey of 2-(3-chloro-2-fluorophenyl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is IVLAOQTXDNIAIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClFNO2S/c11-6-3-1-2-5(8(6)12)9-13-4-7(16-9)10(14)15/h1-4H,(H,14,15).
What are the key properties of 2-(3-chloro-2-fluorophenyl)-1,3-thiazole-5-carboxylic acid?
2-(3-chloro-2-fluorophenyl)-1,3-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 2-(3-chloro-2-fluorophenyl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 63034748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).