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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Related Compounds

2-{[(4-Methoxybenzoyl)oxy]ethanimidoyl}-1,3-thiazole
CID 5524574
3-((2-Methyl-1,3-thiazol-4-yl)methoxy)benzoic acid
CID 7131859
3-(1,3-Thiazol-4-ylmethoxy)benzoic acid
CID 7131861
4-Methoxybenzoic acid [1-(2-thiazolyl)ethylideneamino] ester
CID 1481893
4-((2-Methyl-1,3-thiazol-4-yl)methoxy)benzaldehyde
CID 4962841
2-((1,3-Thiazol-4-yl)methoxy)benzoic acid
CID 7130681
Ethyl 3-fluoro-4-(1,3-thiazol-2-yloxy)benzoate
CID 20364712
3-[(2-Fluorophenyl)methoxy]-5-(4-thiazolylmethoxy)benzaldehyde
CID 59242984
Methyl 4-[1-(5-methyl-1,3-thiazol-4-yl)-2-[4-(trifluoromethyl)phenyl]ethoxy]benzoate
CID 66861267
Methyl 3-[[2-(fluoromethyl)-1,3-thiazol-4-yl]methoxy]benzoate
CID 67914604
2-Fluoro-4-(1,3-thiazol-4-ylmethoxy)benzoic acid
CID 68704986
(2-Fluoro-4-methylphenyl) 1,3-thiazole-4-carboxylate
CID 91191765

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).