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

C15H16FNO3S — CID 94760645

IUPAC2-[2-(4-fluorophenoxy)ethyl]-4-propyl-1,3-thiazole-5-carboxylic acid
SMILESCCCc1nc(CCOc2ccc(F)cc2)sc1C(=O)O
InChIInChI=1S/C15H16FNO3S/c1-2-3-12-14(15(18)19)21-13(17-12)8-9-20-11-6-4-10(16)5-7-11/h4-7H,2-3,8-9H2,1H3,(H,18,19)
InChIKeyUKYSFTXVPIHDSF-UHFFFAOYSA-N
MW309.36 g/mol
LogP3.55
Rot. Bonds7

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

2-[2-(4-fluorophenoxy)ethyl]-4-propyl-1,3-thiazole-5-carboxylic acid (PubChem CID 94760645) has the molecular formula C15H16FNO3S and a molecular weight of 309.36 g/mol. Its IUPAC name is 2-[2-(4-fluorophenoxy)ethyl]-4-propyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[2-(4-fluorophenoxy)ethyl]-4-propyl-1,3-thiazole-5-carboxylic acid
PubChem CID94760645
Molecular FormulaC15H16FNO3S
Molecular Weight309.36 g/mol
Exact Mass309.08
IUPAC Name2-[2-(4-fluorophenoxy)ethyl]-4-propyl-1,3-thiazole-5-carboxylic acid
SMILESCCCc1nc(CCOc2ccc(F)cc2)sc1C(=O)O
InChIInChI=1S/C15H16FNO3S/c1-2-3-12-14(15(18)19)21-13(17-12)8-9-20-11-6-4-10(16)5-7-11/h4-7H,2-3,8-9H2,1H3,(H,18,19)
InChIKeyUKYSFTXVPIHDSF-UHFFFAOYSA-N
XLogP3.55
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4-fluorophenoxy)ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 82154144
2-[2-(4-fluorophenoxy)ethyl]-1,3-thiazole-5-carboxylic acid
CID 82191158
1-[4-ethyl-2-[2-(4-methoxyphenoxy)ethyl]-1,3-thiazol-5-yl]ethanone
CID 82429925
2-[(4-methylphenyl)methyl]-4-propyl-1,3-thiazole-5-carboxylic acid
CID 82154835
4-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethoxy]benzoic acid
CID 83967534
1-[2-[2-(2-methylphenoxy)ethyl]-4-propyl-1,3-thiazol-5-yl]ethanone
CID 82432483
N-[[2-[2-(4-fluorophenoxy)ethyl]-1,3-thiazol-5-yl]methyl]ethanamine
CID 82191156
4-propyl-2-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxylic acid
CID 114359672
2-bromo-4-propyl-1,3-thiazole-5-carboxylic acid
CID 13015610
2-[2-(4-methoxyphenoxy)ethyl]-4-propyl-1,3-thiazole-5-carbonitrile
CID 82432556
4-methyl-2-[(4-propoxyphenyl)methyl]-1,3-thiazole-5-carboxylic acid
CID 83969593
2-[(3,4-dimethylphenyl)methyl]-4-propyl-1,3-thiazole-5-carboxylic acid
CID 114359522

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenoxy)ethyl]-4-propyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[2-(4-fluorophenoxy)ethyl]-4-propyl-1,3-thiazole-5-carboxylic acid (CID 94760645) is 2-[2-(4-fluorophenoxy)ethyl]-4-propyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[2-(4-fluorophenoxy)ethyl]-4-propyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[2-(4-fluorophenoxy)ethyl]-4-propyl-1,3-thiazole-5-carboxylic acid is CCCc1nc(CCOc2ccc(F)cc2)sc1C(=O)O.
What is the InChIKey of 2-[2-(4-fluorophenoxy)ethyl]-4-propyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is UKYSFTXVPIHDSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO3S/c1-2-3-12-14(15(18)19)21-13(17-12)8-9-20-11-6-4-10(16)5-7-11/h4-7H,2-3,8-9H2,1H3,(H,18,19).
What are the key properties of 2-[2-(4-fluorophenoxy)ethyl]-4-propyl-1,3-thiazole-5-carboxylic acid?
2-[2-(4-fluorophenoxy)ethyl]-4-propyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 309.36 g/mol, XLogP of 3.55, 7 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]-4-propyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 94760645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).