3-[[2-(fluoromethyl)-1,3-thiazol-4-yl]methoxy]benzoic acid

C12H10FNO3S — CID 19901153

IUPAC3-[[2-(fluoromethyl)-1,3-thiazol-4-yl]methoxy]benzoic acid
SMILESO=C(O)c1cccc(OCc2csc(CF)n2)c1
InChIInChI=1S/C12H10FNO3S/c13-5-11-14-9(7-18-11)6-17-10-3-1-2-8(4-10)12(15)16/h1-4,7H,5-6H2,(H,15,16)
InChIKeyKPZXYYIGMAVWAD-UHFFFAOYSA-N
MW267.28 g/mol
LogP2.89
Rot. Bonds5

About 3-[[2-(fluoromethyl)-1,3-thiazol-4-yl]methoxy]benzoic acid

3-[[2-(fluoromethyl)-1,3-thiazol-4-yl]methoxy]benzoic acid (PubChem CID 19901153) has the molecular formula C12H10FNO3S and a molecular weight of 267.28 g/mol. Its IUPAC name is 3-[[2-(fluoromethyl)-1,3-thiazol-4-yl]methoxy]benzoic acid.

Molecular Properties

Compound Name3-[[2-(fluoromethyl)-1,3-thiazol-4-yl]methoxy]benzoic acid
PubChem CID19901153
Molecular FormulaC12H10FNO3S
Molecular Weight267.28 g/mol
Exact Mass267.04
IUPAC Name3-[[2-(fluoromethyl)-1,3-thiazol-4-yl]methoxy]benzoic acid
SMILESO=C(O)c1cccc(OCc2csc(CF)n2)c1
InChIInChI=1S/C12H10FNO3S/c13-5-11-14-9(7-18-11)6-17-10-3-1-2-8(4-10)12(15)16/h1-4,7H,5-6H2,(H,15,16)
InChIKeyKPZXYYIGMAVWAD-UHFFFAOYSA-N
XLogP2.89
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(fluoromethyl)-1,3-thiazol-4-yl]methoxy]benzoic acid?
The IUPAC name of 3-[[2-(fluoromethyl)-1,3-thiazol-4-yl]methoxy]benzoic acid (CID 19901153) is 3-[[2-(fluoromethyl)-1,3-thiazol-4-yl]methoxy]benzoic acid.
What is the SMILES notation for 3-[[2-(fluoromethyl)-1,3-thiazol-4-yl]methoxy]benzoic acid?
The canonical SMILES for 3-[[2-(fluoromethyl)-1,3-thiazol-4-yl]methoxy]benzoic acid is O=C(O)c1cccc(OCc2csc(CF)n2)c1.
What is the InChIKey of 3-[[2-(fluoromethyl)-1,3-thiazol-4-yl]methoxy]benzoic acid?
The InChIKey is KPZXYYIGMAVWAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO3S/c13-5-11-14-9(7-18-11)6-17-10-3-1-2-8(4-10)12(15)16/h1-4,7H,5-6H2,(H,15,16).
What are the key properties of 3-[[2-(fluoromethyl)-1,3-thiazol-4-yl]methoxy]benzoic acid?
3-[[2-(fluoromethyl)-1,3-thiazol-4-yl]methoxy]benzoic acid has a molecular weight of 267.28 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(fluoromethyl)-1,3-thiazol-4-yl]methoxy]benzoic acid is sourced from PubChem (CID 19901153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).