2-[(4-chloro-1,3-thiazol-2-yl)oxy]-6-fluorobenzoic acid

C10H5ClFNO3S — CID 107016422

IUPAC2-[(4-chloro-1,3-thiazol-2-yl)oxy]-6-fluorobenzoic acid
SMILESO=C(O)c1c(F)cccc1Oc1nc(Cl)cs1
InChIInChI=1S/C10H5ClFNO3S/c11-7-4-17-10(13-7)16-6-3-1-2-5(12)8(6)9(14)15/h1-4H,(H,14,15)
InChIKeyJVYYYCVCEDIOCK-UHFFFAOYSA-N
MW273.67 g/mol
LogP3.43
Rot. Bonds3

About 2-[(4-chloro-1,3-thiazol-2-yl)oxy]-6-fluorobenzoic acid

2-[(4-chloro-1,3-thiazol-2-yl)oxy]-6-fluorobenzoic acid (PubChem CID 107016422) has the molecular formula C10H5ClFNO3S and a molecular weight of 273.67 g/mol. Its IUPAC name is 2-[(4-chloro-1,3-thiazol-2-yl)oxy]-6-fluorobenzoic acid.

Molecular Properties

Compound Name2-[(4-chloro-1,3-thiazol-2-yl)oxy]-6-fluorobenzoic acid
PubChem CID107016422
Molecular FormulaC10H5ClFNO3S
Molecular Weight273.67 g/mol
Exact Mass272.97
IUPAC Name2-[(4-chloro-1,3-thiazol-2-yl)oxy]-6-fluorobenzoic acid
SMILESO=C(O)c1c(F)cccc1Oc1nc(Cl)cs1
InChIInChI=1S/C10H5ClFNO3S/c11-7-4-17-10(13-7)16-6-3-1-2-5(12)8(6)9(14)15/h1-4H,(H,14,15)
InChIKeyJVYYYCVCEDIOCK-UHFFFAOYSA-N
XLogP3.43
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.67
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-chloro-1,3-thiazol-2-yl)oxy]-6-fluorobenzonitrile
CID 83153340
3-[(4-chloro-1,3-thiazol-2-yl)oxy]pyridine-4-carboxylic acid
CID 83156671
N-[2-[(4-chloro-1,3-thiazol-2-yl)oxy]phenyl]acetamide
CID 83153581
4-[(4-chloro-1,3-thiazol-2-yl)oxy]-3-methylbenzoic acid
CID 107672857
2-[(4-chloro-1,3-thiazol-2-yl)oxy]-4-methylbenzoic acid
CID 83156055
4-chloro-2-(2-iodophenoxy)-1,3-thiazole
CID 83153220
2-fluoro-6-pyridin-2-yloxybenzoic acid
CID 104629750
2-(4-bromo-2,5-dichlorophenoxy)-6-fluorobenzoic acid
CID 107661509
2-(3,4-difluorophenoxy)-6-fluorobenzoic acid
CID 79510931
2-fluoro-6-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoic acid
CID 104651304
2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-6-fluorobenzoic acid
CID 104651306
2-[(2-chloro-3-fluorophenyl)methoxy]-6-fluorobenzoic acid
CID 104651365

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-1,3-thiazol-2-yl)oxy]-6-fluorobenzoic acid?
The IUPAC name of 2-[(4-chloro-1,3-thiazol-2-yl)oxy]-6-fluorobenzoic acid (CID 107016422) is 2-[(4-chloro-1,3-thiazol-2-yl)oxy]-6-fluorobenzoic acid.
What is the SMILES notation for 2-[(4-chloro-1,3-thiazol-2-yl)oxy]-6-fluorobenzoic acid?
The canonical SMILES for 2-[(4-chloro-1,3-thiazol-2-yl)oxy]-6-fluorobenzoic acid is O=C(O)c1c(F)cccc1Oc1nc(Cl)cs1.
What is the InChIKey of 2-[(4-chloro-1,3-thiazol-2-yl)oxy]-6-fluorobenzoic acid?
The InChIKey is JVYYYCVCEDIOCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClFNO3S/c11-7-4-17-10(13-7)16-6-3-1-2-5(12)8(6)9(14)15/h1-4H,(H,14,15).
What are the key properties of 2-[(4-chloro-1,3-thiazol-2-yl)oxy]-6-fluorobenzoic acid?
2-[(4-chloro-1,3-thiazol-2-yl)oxy]-6-fluorobenzoic acid has a molecular weight of 273.67 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-1,3-thiazol-2-yl)oxy]-6-fluorobenzoic acid is sourced from PubChem (CID 107016422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).