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

Name: 2-[(4-chloro-1,3-thiazol-2-yl)oxy]-6-fluorobenzoic acid — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₀H₅ClFNO₃S — CID 107016422

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

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 Name	2-[(4-chloro-1,3-thiazol-2-yl)oxy]-6-fluorobenzoic acid
PubChem CID	107016422
Molecular Formula	C₁₀H₅ClFNO₃S
Molecular Weight	273.67 g/mol
Exact Mass	272.97
IUPAC Name	2-[(4-chloro-1,3-thiazol-2-yl)oxy]-6-fluorobenzoic acid
SMILES	O=C(O)c1c(F)cccc1Oc1nc(Cl)cs1
InChI	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)
InChIKey	JVYYYCVCEDIOCK-UHFFFAOYSA-N
XLogP	3.43
TPSA	59.42 Å²
H-Bond Donors	1
H-Bond Acceptors	4
Rotatable Bonds	3
Heavy Atoms	17
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	273.67
LogP ≤ 5	3.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

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).

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Sources

PubChem CID 107016422 — identifiers, structure, computed properties (public domain)

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