2-[4-[(3,5-difluorophenyl)methoxy]-2-fluorophenyl]-1,3-thiazole-4-carboxylic acid

C17H10F3NO3S — CID 46065599

IUPAC2-[4-[(3,5-difluorophenyl)methoxy]-2-fluorophenyl]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(-c2ccc(OCc3cc(F)cc(F)c3)cc2F)n1
InChIInChI=1S/C17H10F3NO3S/c18-10-3-9(4-11(19)5-10)7-24-12-1-2-13(14(20)6-12)16-21-15(8-25-16)17(22)23/h1-6,8H,7H2,(H,22,23)
InChIKeyUQRXRCVZDFJZJA-UHFFFAOYSA-N
MW365.33 g/mol
LogP4.50
Rot. Bonds5

About 2-[4-[(3,5-difluorophenyl)methoxy]-2-fluorophenyl]-1,3-thiazole-4-carboxylic acid

2-[4-[(3,5-difluorophenyl)methoxy]-2-fluorophenyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 46065599) has the molecular formula C17H10F3NO3S and a molecular weight of 365.33 g/mol. Its IUPAC name is 2-[4-[(3,5-difluorophenyl)methoxy]-2-fluorophenyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[4-[(3,5-difluorophenyl)methoxy]-2-fluorophenyl]-1,3-thiazole-4-carboxylic acid
PubChem CID46065599
Molecular FormulaC17H10F3NO3S
Molecular Weight365.33 g/mol
Exact Mass365.03
IUPAC Name2-[4-[(3,5-difluorophenyl)methoxy]-2-fluorophenyl]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(-c2ccc(OCc3cc(F)cc(F)c3)cc2F)n1
InChIInChI=1S/C17H10F3NO3S/c18-10-3-9(4-11(19)5-10)7-24-12-1-2-13(14(20)6-12)16-21-15(8-25-16)17(22)23/h1-6,8H,7H2,(H,22,23)
InChIKeyUQRXRCVZDFJZJA-UHFFFAOYSA-N
XLogP4.50
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.33
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxylic Acid
CID 1473790
2-(4-Methoxyphenyl)-1,3-thiazole-4-carbaldehyde
CID 4554836
Ethyl 2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazole-4-carboxylate
CID 2742270
4-(3,4-Difluorophenyl)-2-[(4-methoxyphenoxy)methyl]-1,3-thiazole
CID 2742375
(E)-3-[4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]phenyl]prop-2-enoic acid
CID 22728016
Sodium 2-(5-chloro-2-phenylmethoxyphenyl)-1,3-thiazole-4-carboxylate
CID 44455440
2-(2,3-Dihydro-1-benzofuran-5-yl)-1,3-thiazole-4-carboxylic acid
CID 2742272
2-(4-Methoxyphenyl)-1,3-thiazole-4-carboxylic acid
CID 2763565
4-[4-(4-Methoxyphenyl)-1,3-thiazol-2-yl]benzenecarboxylic acid
CID 1483723
(2E)-2-[cyclohexyl-[4-[(4-phenyl-1,3-thiazol-2-yl)methoxy]phenyl]methoxy]iminopropanoic acid
CID 10504337
1-[4-(4-Methoxyphenyl)-1,3-thiazol-2-yl]-1-phenylethanol
CID 49792786
(4-Fluorophenyl)-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methanol
CID 49795508

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3,5-difluorophenyl)methoxy]-2-fluorophenyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[4-[(3,5-difluorophenyl)methoxy]-2-fluorophenyl]-1,3-thiazole-4-carboxylic acid (CID 46065599) is 2-[4-[(3,5-difluorophenyl)methoxy]-2-fluorophenyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[4-[(3,5-difluorophenyl)methoxy]-2-fluorophenyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[4-[(3,5-difluorophenyl)methoxy]-2-fluorophenyl]-1,3-thiazole-4-carboxylic acid is O=C(O)c1csc(-c2ccc(OCc3cc(F)cc(F)c3)cc2F)n1.
What is the InChIKey of 2-[4-[(3,5-difluorophenyl)methoxy]-2-fluorophenyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is UQRXRCVZDFJZJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F3NO3S/c18-10-3-9(4-11(19)5-10)7-24-12-1-2-13(14(20)6-12)16-21-15(8-25-16)17(22)23/h1-6,8H,7H2,(H,22,23).
What are the key properties of 2-[4-[(3,5-difluorophenyl)methoxy]-2-fluorophenyl]-1,3-thiazole-4-carboxylic acid?
2-[4-[(3,5-difluorophenyl)methoxy]-2-fluorophenyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 365.33 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3,5-difluorophenyl)methoxy]-2-fluorophenyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 46065599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).