2-(difluoromethyl)-4-[3-[2-[(5-fluoro-2-pyridinyl)oxymethyl]-4-methyl-1,3-thiazol-5-yl]phenyl]benzoic acid

C24H17F3N2O3S — CID 162757192

IUPAC2-(difluoromethyl)-4-[3-[2-[(5-fluoro-2-pyridinyl)oxymethyl]-4-methyl-1,3-thiazol-5-yl]phenyl]benzoic acid
SMILESCc1nc(COc2ccc(F)cn2)sc1-c1cccc(-c2ccc(C(=O)O)c(C(F)F)c2)c1
InChIInChI=1S/C24H17F3N2O3S/c1-13-22(33-21(29-13)12-32-20-8-6-17(25)11-28-20)16-4-2-3-14(9-16)15-5-7-18(24(30)31)19(10-15)23(26)27/h2-11,23H,12H2,1H3,(H,30,31)
InChIKeyCXPLDMVWUGQCTI-UHFFFAOYSA-N
MW470.47 g/mol
LogP6.53
Rot. Bonds7

About 2-(difluoromethyl)-4-[3-[2-[(5-fluoro-2-pyridinyl)oxymethyl]-4-methyl-1,3-thiazol-5-yl]phenyl]benzoic acid

2-(difluoromethyl)-4-[3-[2-[(5-fluoro-2-pyridinyl)oxymethyl]-4-methyl-1,3-thiazol-5-yl]phenyl]benzoic acid (PubChem CID 162757192) has the molecular formula C24H17F3N2O3S and a molecular weight of 470.47 g/mol. Its IUPAC name is 2-(difluoromethyl)-4-[3-[2-[(5-fluoro-2-pyridinyl)oxymethyl]-4-methyl-1,3-thiazol-5-yl]phenyl]benzoic acid.

Molecular Properties

Compound Name2-(difluoromethyl)-4-[3-[2-[(5-fluoro-2-pyridinyl)oxymethyl]-4-methyl-1,3-thiazol-5-yl]phenyl]benzoic acid
PubChem CID162757192
Molecular FormulaC24H17F3N2O3S
Molecular Weight470.47 g/mol
Exact Mass470.09
IUPAC Name2-(difluoromethyl)-4-[3-[2-[(5-fluoro-2-pyridinyl)oxymethyl]-4-methyl-1,3-thiazol-5-yl]phenyl]benzoic acid
SMILESCc1nc(COc2ccc(F)cn2)sc1-c1cccc(-c2ccc(C(=O)O)c(C(F)F)c2)c1
InChIInChI=1S/C24H17F3N2O3S/c1-13-22(33-21(29-13)12-32-20-8-6-17(25)11-28-20)16-4-2-3-14(9-16)15-5-7-18(24(30)31)19(10-15)23(26)27/h2-11,23H,12H2,1H3,(H,30,31)
InChIKeyCXPLDMVWUGQCTI-UHFFFAOYSA-N
XLogP6.53
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.47
LogP ≤ 56.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(difluoromethyl)-4-[3-[2-[(5-fluoro-2-pyridinyl)oxymethyl]-4-methyl-1,3-thiazol-5-yl]phenyl]benzoic acid with MolForge

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Related Compounds

2-(2-(Bis(4-fluorophenyl)methyl)-4-(2-methoxypyridin-4-yl)thiazol-5-yl)acetic acid
CID 46229884
[4-[2-(2-Propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenyl] benzoate
CID 25012734
US20230348450, Example 146
CID 162757085
US20230348450, Example 1
CID 162757161
US20230348450, Example 164
CID 162757209
US20230348450, Example 163
CID 162757232
US20230348450, Example 22
CID 162757260
US20230348450, Example 17
CID 162757351
US20230348450, Example 26
CID 162757434
US20230348450, Example 65
CID 162757050
US20230348450, Example 341
CID 162757058
US20230348450, Example 56
CID 162757332

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-4-[3-[2-[(5-fluoro-2-pyridinyl)oxymethyl]-4-methyl-1,3-thiazol-5-yl]phenyl]benzoic acid?
The IUPAC name of 2-(difluoromethyl)-4-[3-[2-[(5-fluoro-2-pyridinyl)oxymethyl]-4-methyl-1,3-thiazol-5-yl]phenyl]benzoic acid (CID 162757192) is 2-(difluoromethyl)-4-[3-[2-[(5-fluoro-2-pyridinyl)oxymethyl]-4-methyl-1,3-thiazol-5-yl]phenyl]benzoic acid.
What is the SMILES notation for 2-(difluoromethyl)-4-[3-[2-[(5-fluoro-2-pyridinyl)oxymethyl]-4-methyl-1,3-thiazol-5-yl]phenyl]benzoic acid?
The canonical SMILES for 2-(difluoromethyl)-4-[3-[2-[(5-fluoro-2-pyridinyl)oxymethyl]-4-methyl-1,3-thiazol-5-yl]phenyl]benzoic acid is Cc1nc(COc2ccc(F)cn2)sc1-c1cccc(-c2ccc(C(=O)O)c(C(F)F)c2)c1.
What is the InChIKey of 2-(difluoromethyl)-4-[3-[2-[(5-fluoro-2-pyridinyl)oxymethyl]-4-methyl-1,3-thiazol-5-yl]phenyl]benzoic acid?
The InChIKey is CXPLDMVWUGQCTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F3N2O3S/c1-13-22(33-21(29-13)12-32-20-8-6-17(25)11-28-20)16-4-2-3-14(9-16)15-5-7-18(24(30)31)19(10-15)23(26)27/h2-11,23H,12H2,1H3,(H,30,31).
What are the key properties of 2-(difluoromethyl)-4-[3-[2-[(5-fluoro-2-pyridinyl)oxymethyl]-4-methyl-1,3-thiazol-5-yl]phenyl]benzoic acid?
2-(difluoromethyl)-4-[3-[2-[(5-fluoro-2-pyridinyl)oxymethyl]-4-methyl-1,3-thiazol-5-yl]phenyl]benzoic acid has a molecular weight of 470.47 g/mol, XLogP of 6.53, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-4-[3-[2-[(5-fluoro-2-pyridinyl)oxymethyl]-4-methyl-1,3-thiazol-5-yl]phenyl]benzoic acid is sourced from PubChem (CID 162757192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).