2-fluoro-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetic acid

C12H10FNO3S — CID 79357223

IUPAC2-fluoro-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetic acid
SMILESCc1csc(-c2ccc(OC(F)C(=O)O)cc2)n1
InChIInChI=1S/C12H10FNO3S/c1-7-6-18-11(14-7)8-2-4-9(5-3-8)17-10(13)12(15)16/h2-6,10H,1H3,(H,15,16)
InChIKeyRVBCAFKEDUUALD-UHFFFAOYSA-N
MW267.28 g/mol
LogP2.88
Rot. Bonds4

About 2-fluoro-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetic acid

2-fluoro-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetic acid (PubChem CID 79357223) has the molecular formula C12H10FNO3S and a molecular weight of 267.28 g/mol. Its IUPAC name is 2-fluoro-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetic acid.

Molecular Properties

Compound Name2-fluoro-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetic acid
PubChem CID79357223
Molecular FormulaC12H10FNO3S
Molecular Weight267.28 g/mol
Exact Mass267.04
IUPAC Name2-fluoro-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetic acid
SMILESCc1csc(-c2ccc(OC(F)C(=O)O)cc2)n1
InChIInChI=1S/C12H10FNO3S/c1-7-6-18-11(14-7)8-2-4-9(5-3-8)17-10(13)12(15)16/h2-6,10H,1H3,(H,15,16)
InChIKeyRVBCAFKEDUUALD-UHFFFAOYSA-N
XLogP2.88
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]butan-2-one
CID 62034527
methyl 3-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]butanoate
CID 43536243
3-methyl-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]butanehydrazide
CID 63570310
2,2-dimethyl-3-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]propanoic acid
CID 79622789
1-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]butan-2-one
CID 62040002
N-methyl-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetamide
CID 9123257
1-methoxy-3-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]propan-2-one
CID 107508099
3-methyl-4-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]but-2-enoic acid
CID 77005623
2-ethyl-4-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]but-2-enoic acid
CID 77101797
3-[2-[4-(difluoromethoxy)phenyl]-1,3-thiazol-4-yl]propanoic acid
CID 103485230
N-[(2S)-butan-2-yl]-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetamide
CID 9123252
N-[4-(difluoromethylsulfanyl)phenyl]-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetamide
CID 9123022

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetic acid?
The IUPAC name of 2-fluoro-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetic acid (CID 79357223) is 2-fluoro-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetic acid.
What is the SMILES notation for 2-fluoro-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetic acid?
The canonical SMILES for 2-fluoro-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetic acid is Cc1csc(-c2ccc(OC(F)C(=O)O)cc2)n1.
What is the InChIKey of 2-fluoro-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetic acid?
The InChIKey is RVBCAFKEDUUALD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO3S/c1-7-6-18-11(14-7)8-2-4-9(5-3-8)17-10(13)12(15)16/h2-6,10H,1H3,(H,15,16).
What are the key properties of 2-fluoro-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetic acid?
2-fluoro-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetic acid has a molecular weight of 267.28 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetic acid is sourced from PubChem (CID 79357223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).