methyl 2-fluoro-4-(1,3-thiazol-4-ylmethoxy)benzoate

C12H10FNO3S — CID 59593411

IUPACmethyl 2-fluoro-4-(1,3-thiazol-4-ylmethoxy)benzoate
SMILESCOC(=O)c1ccc(OCc2cscn2)cc1F
InChIInChI=1S/C12H10FNO3S/c1-16-12(15)10-3-2-9(4-11(10)13)17-5-8-6-18-7-14-8/h2-4,6-7H,5H2,1H3
InChIKeyIABRASRESAGJAU-UHFFFAOYSA-N
MW267.28 g/mol
LogP2.65
Rot. Bonds4

About methyl 2-fluoro-4-(1,3-thiazol-4-ylmethoxy)benzoate

methyl 2-fluoro-4-(1,3-thiazol-4-ylmethoxy)benzoate (PubChem CID 59593411) has the molecular formula C12H10FNO3S and a molecular weight of 267.28 g/mol. Its IUPAC name is methyl 2-fluoro-4-(1,3-thiazol-4-ylmethoxy)benzoate.

Molecular Properties

Compound Namemethyl 2-fluoro-4-(1,3-thiazol-4-ylmethoxy)benzoate
PubChem CID59593411
Molecular FormulaC12H10FNO3S
Molecular Weight267.28 g/mol
Exact Mass267.04
IUPAC Namemethyl 2-fluoro-4-(1,3-thiazol-4-ylmethoxy)benzoate
SMILESCOC(=O)c1ccc(OCc2cscn2)cc1F
InChIInChI=1S/C12H10FNO3S/c1-16-12(15)10-3-2-9(4-11(10)13)17-5-8-6-18-7-14-8/h2-4,6-7H,5H2,1H3
InChIKeyIABRASRESAGJAU-UHFFFAOYSA-N
XLogP2.65
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-fluoro-4-(1,3-thiazol-4-ylmethoxy)benzoate?
The IUPAC name of methyl 2-fluoro-4-(1,3-thiazol-4-ylmethoxy)benzoate (CID 59593411) is methyl 2-fluoro-4-(1,3-thiazol-4-ylmethoxy)benzoate.
What is the SMILES notation for methyl 2-fluoro-4-(1,3-thiazol-4-ylmethoxy)benzoate?
The canonical SMILES for methyl 2-fluoro-4-(1,3-thiazol-4-ylmethoxy)benzoate is COC(=O)c1ccc(OCc2cscn2)cc1F.
What is the InChIKey of methyl 2-fluoro-4-(1,3-thiazol-4-ylmethoxy)benzoate?
The InChIKey is IABRASRESAGJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO3S/c1-16-12(15)10-3-2-9(4-11(10)13)17-5-8-6-18-7-14-8/h2-4,6-7H,5H2,1H3.
What are the key properties of methyl 2-fluoro-4-(1,3-thiazol-4-ylmethoxy)benzoate?
methyl 2-fluoro-4-(1,3-thiazol-4-ylmethoxy)benzoate has a molecular weight of 267.28 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-fluoro-4-(1,3-thiazol-4-ylmethoxy)benzoate is sourced from PubChem (CID 59593411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).