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

C10H4ClF2NO3S — CID 80692390

IUPAC4-chloro-2-(3,5-difluorophenoxy)-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1sc(Oc2cc(F)cc(F)c2)nc1Cl
InChIInChI=1S/C10H4ClF2NO3S/c11-8-7(9(15)16)18-10(14-8)17-6-2-4(12)1-5(13)3-6/h1-3H,(H,15,16)
InChIKeyGFYCWIKPWIVBOE-UHFFFAOYSA-N
MW291.66 g/mol
LogP3.57
Rot. Bonds3

About 4-chloro-2-(3,5-difluorophenoxy)-1,3-thiazole-5-carboxylic acid

4-chloro-2-(3,5-difluorophenoxy)-1,3-thiazole-5-carboxylic acid (PubChem CID 80692390) has the molecular formula C10H4ClF2NO3S and a molecular weight of 291.66 g/mol. Its IUPAC name is 4-chloro-2-(3,5-difluorophenoxy)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-chloro-2-(3,5-difluorophenoxy)-1,3-thiazole-5-carboxylic acid
PubChem CID80692390
Molecular FormulaC10H4ClF2NO3S
Molecular Weight291.66 g/mol
Exact Mass290.96
IUPAC Name4-chloro-2-(3,5-difluorophenoxy)-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1sc(Oc2cc(F)cc(F)c2)nc1Cl
InChIInChI=1S/C10H4ClF2NO3S/c11-8-7(9(15)16)18-10(14-8)17-6-2-4(12)1-5(13)3-6/h1-3H,(H,15,16)
InChIKeyGFYCWIKPWIVBOE-UHFFFAOYSA-N
XLogP3.57
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.66
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(3,5-difluorophenoxy)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-chloro-2-(3,5-difluorophenoxy)-1,3-thiazole-5-carboxylic acid (CID 80692390) is 4-chloro-2-(3,5-difluorophenoxy)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-chloro-2-(3,5-difluorophenoxy)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-chloro-2-(3,5-difluorophenoxy)-1,3-thiazole-5-carboxylic acid is O=C(O)c1sc(Oc2cc(F)cc(F)c2)nc1Cl.
What is the InChIKey of 4-chloro-2-(3,5-difluorophenoxy)-1,3-thiazole-5-carboxylic acid?
The InChIKey is GFYCWIKPWIVBOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4ClF2NO3S/c11-8-7(9(15)16)18-10(14-8)17-6-2-4(12)1-5(13)3-6/h1-3H,(H,15,16).
What are the key properties of 4-chloro-2-(3,5-difluorophenoxy)-1,3-thiazole-5-carboxylic acid?
4-chloro-2-(3,5-difluorophenoxy)-1,3-thiazole-5-carboxylic acid has a molecular weight of 291.66 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(3,5-difluorophenoxy)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 80692390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).