2-[4-(4-fluorophenyl)-2-[(4-hydroxyphenyl)-phenylmethyl]-1,3-thiazol-5-yl]acetic acid

C24H18FNO3S — CID 46230375

IUPAC2-[4-(4-fluorophenyl)-2-[(4-hydroxyphenyl)-phenylmethyl]-1,3-thiazol-5-yl]acetic acid
SMILESO=C(O)Cc1sc(C(c2ccccc2)c2ccc(O)cc2)nc1-c1ccc(F)cc1
InChIInChI=1S/C24H18FNO3S/c25-18-10-6-17(7-11-18)23-20(14-21(28)29)30-24(26-23)22(15-4-2-1-3-5-15)16-8-12-19(27)13-9-16/h1-13,22,27H,14H2,(H,28,29)
InChIKeyIIMVGFRDUDAYTR-UHFFFAOYSA-N
MW419.48 g/mol
LogP5.46
Rot. Bonds6

About 2-[4-(4-fluorophenyl)-2-[(4-hydroxyphenyl)-phenylmethyl]-1,3-thiazol-5-yl]acetic acid

2-[4-(4-fluorophenyl)-2-[(4-hydroxyphenyl)-phenylmethyl]-1,3-thiazol-5-yl]acetic acid (PubChem CID 46230375) has the molecular formula C24H18FNO3S and a molecular weight of 419.48 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)-2-[(4-hydroxyphenyl)-phenylmethyl]-1,3-thiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)-2-[(4-hydroxyphenyl)-phenylmethyl]-1,3-thiazol-5-yl]acetic acid
PubChem CID46230375
Molecular FormulaC24H18FNO3S
Molecular Weight419.48 g/mol
Exact Mass419.10
IUPAC Name2-[4-(4-fluorophenyl)-2-[(4-hydroxyphenyl)-phenylmethyl]-1,3-thiazol-5-yl]acetic acid
SMILESO=C(O)Cc1sc(C(c2ccccc2)c2ccc(O)cc2)nc1-c1ccc(F)cc1
InChIInChI=1S/C24H18FNO3S/c25-18-10-6-17(7-11-18)23-20(14-21(28)29)30-24(26-23)22(15-4-2-1-3-5-15)16-8-12-19(27)13-9-16/h1-13,22,27H,14H2,(H,28,29)
InChIKeyIIMVGFRDUDAYTR-UHFFFAOYSA-N
XLogP5.46
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.48
LogP ≤ 55.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-benzhydryl-4-phenyl-1,3-thiazol-5-yl)acetic acid
CID 46230226
2-[2-[bis(4-fluorophenyl)methyl]-4-(3-cyanophenyl)-1,3-thiazol-5-yl]acetic acid
CID 46230425
2-[4-(4-chlorophenyl)-2-[(4-methoxyphenyl)-phenylmethyl]-1,3-thiazol-5-yl]acetic acid
CID 11561470
2-[4-(4-chlorophenyl)-2-(4-fluorophenyl)-1,3-thiazol-5-yl]acetic acid
CID 59384906
2-[2-(1-methoxypropyl)-4-phenyl-1,3-thiazol-5-yl]acetic acid
CID 116705427
2-[4-(4-fluorophenyl)-2-[3-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]acetic acid
CID 29264700
2-[2-(2-fluoroanilino)-4-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]acetic acid
CID 1342304
2-[2-phenyl-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]acetic acid
CID 154363492
2-[2-anilino-4-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]acetic acid
CID 23913706
2-[4-(4-fluorophenyl)-2-(N-(4-methylsulfonylphenyl)anilino)-1,3-thiazol-5-yl]acetic acid
CID 16660134
2-[4-(4-fluorophenyl)-2-[(4-methylbenzoyl)amino]-1,3-thiazol-5-yl]acetic acid
CID 39200247
3-(2-benzhydryl-4-methyl-1,3-thiazol-5-yl)propanoic acid
CID 82161879

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)-2-[(4-hydroxyphenyl)-phenylmethyl]-1,3-thiazol-5-yl]acetic acid?
The IUPAC name of 2-[4-(4-fluorophenyl)-2-[(4-hydroxyphenyl)-phenylmethyl]-1,3-thiazol-5-yl]acetic acid (CID 46230375) is 2-[4-(4-fluorophenyl)-2-[(4-hydroxyphenyl)-phenylmethyl]-1,3-thiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[4-(4-fluorophenyl)-2-[(4-hydroxyphenyl)-phenylmethyl]-1,3-thiazol-5-yl]acetic acid?
The canonical SMILES for 2-[4-(4-fluorophenyl)-2-[(4-hydroxyphenyl)-phenylmethyl]-1,3-thiazol-5-yl]acetic acid is O=C(O)Cc1sc(C(c2ccccc2)c2ccc(O)cc2)nc1-c1ccc(F)cc1.
What is the InChIKey of 2-[4-(4-fluorophenyl)-2-[(4-hydroxyphenyl)-phenylmethyl]-1,3-thiazol-5-yl]acetic acid?
The InChIKey is IIMVGFRDUDAYTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FNO3S/c25-18-10-6-17(7-11-18)23-20(14-21(28)29)30-24(26-23)22(15-4-2-1-3-5-15)16-8-12-19(27)13-9-16/h1-13,22,27H,14H2,(H,28,29).
What are the key properties of 2-[4-(4-fluorophenyl)-2-[(4-hydroxyphenyl)-phenylmethyl]-1,3-thiazol-5-yl]acetic acid?
2-[4-(4-fluorophenyl)-2-[(4-hydroxyphenyl)-phenylmethyl]-1,3-thiazol-5-yl]acetic acid has a molecular weight of 419.48 g/mol, XLogP of 5.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)-2-[(4-hydroxyphenyl)-phenylmethyl]-1,3-thiazol-5-yl]acetic acid is sourced from PubChem (CID 46230375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).