2-[2-(4-fluorophenoxy)ethyl]-1,3-thiazole-5-carboxylic acid

C12H10FNO3S — CID 82191158

IUPAC2-[2-(4-fluorophenoxy)ethyl]-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1cnc(CCOc2ccc(F)cc2)s1
InChIInChI=1S/C12H10FNO3S/c13-8-1-3-9(4-2-8)17-6-5-11-14-7-10(18-11)12(15)16/h1-4,7H,5-6H2,(H,15,16)
InChIKeyNBJQGGHZPZTQKZ-UHFFFAOYSA-N
MW267.28 g/mol
LogP2.60
Rot. Bonds5

About 2-[2-(4-fluorophenoxy)ethyl]-1,3-thiazole-5-carboxylic acid

2-[2-(4-fluorophenoxy)ethyl]-1,3-thiazole-5-carboxylic acid (PubChem CID 82191158) has the molecular formula C12H10FNO3S and a molecular weight of 267.28 g/mol. Its IUPAC name is 2-[2-(4-fluorophenoxy)ethyl]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[2-(4-fluorophenoxy)ethyl]-1,3-thiazole-5-carboxylic acid
PubChem CID82191158
Molecular FormulaC12H10FNO3S
Molecular Weight267.28 g/mol
Exact Mass267.04
IUPAC Name2-[2-(4-fluorophenoxy)ethyl]-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1cnc(CCOc2ccc(F)cc2)s1
InChIInChI=1S/C12H10FNO3S/c13-8-1-3-9(4-2-8)17-6-5-11-14-7-10(18-11)12(15)16/h1-4,7H,5-6H2,(H,15,16)
InChIKeyNBJQGGHZPZTQKZ-UHFFFAOYSA-N
XLogP2.60
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 ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 2-phenoxy-5-thiazolecarboxylate
CID 13106142
2-(Phenoxymethyl)-1,3-thiazole-5-carboxylic acid
CID 28473199
4-(4-Fluorophenoxy)-1,3-thiazole-5-carboxylic acid
CID 22481639
[2-Fluoro-4-(1,3-thiazol-5-ylmethoxy)phenyl]boronic acid
CID 57655267
3-Fluoro-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenol
CID 90071468
2-[4-(Trifluoromethoxy)phenyl]sulfanyl-1,3-thiazole-5-carboxylic acid
CID 123614846
2-(4-Fluorophenoxy)-1,3-thiazole-5-carbaldehyde
CID 139415973
2-[(3Z,5Z)-6-cyano-5-(2-fluoro-5-methoxyphenyl)hepta-1,3,5-trien-2-yl]-1,3-thiazole-5-carboxylic acid
CID 144751413
(3-Fluorophenyl) 4-hydroxy-1,3-thiazole-5-carboxylate
CID 149983576
(2-Fluorophenyl) 2-[ethyl-(3-methoxy-3-oxopropyl)amino]-1,3-thiazole-5-carboxylate
CID 153362293
2-[[4-Pentoxy-3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxylic acid
CID 157399693
2-(7-Fluoro-2-oxochromen-3-yl)-1,3-thiazole-5-carboxylic acid
CID 162712690

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenoxy)ethyl]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[2-(4-fluorophenoxy)ethyl]-1,3-thiazole-5-carboxylic acid (CID 82191158) is 2-[2-(4-fluorophenoxy)ethyl]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[2-(4-fluorophenoxy)ethyl]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[2-(4-fluorophenoxy)ethyl]-1,3-thiazole-5-carboxylic acid is O=C(O)c1cnc(CCOc2ccc(F)cc2)s1.
What is the InChIKey of 2-[2-(4-fluorophenoxy)ethyl]-1,3-thiazole-5-carboxylic acid?
The InChIKey is NBJQGGHZPZTQKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO3S/c13-8-1-3-9(4-2-8)17-6-5-11-14-7-10(18-11)12(15)16/h1-4,7H,5-6H2,(H,15,16).
What are the key properties of 2-[2-(4-fluorophenoxy)ethyl]-1,3-thiazole-5-carboxylic acid?
2-[2-(4-fluorophenoxy)ethyl]-1,3-thiazole-5-carboxylic acid has a molecular weight of 267.28 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenoxy)ethyl]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 82191158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).