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

C17H13FN2O2S — CID 1282226

IUPAC2-[2-anilino-4-(4-fluorophenyl)-1,3-thiazol-5-yl]acetic acid
SMILESO=C(O)Cc1sc(Nc2ccccc2)nc1-c1ccc(F)cc1
InChIInChI=1S/C17H13FN2O2S/c18-12-8-6-11(7-9-12)16-14(10-15(21)22)23-17(20-16)19-13-4-2-1-3-5-13/h1-9H,10H2,(H,19,20)(H,21,22)
InChIKeyWUAJCHANDCTZJN-UHFFFAOYSA-N
MW328.37 g/mol
LogP4.32
Rot. Bonds5

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

2-[2-anilino-4-(4-fluorophenyl)-1,3-thiazol-5-yl]acetic acid (PubChem CID 1282226) has the molecular formula C17H13FN2O2S and a molecular weight of 328.37 g/mol. Its IUPAC name is 2-[2-anilino-4-(4-fluorophenyl)-1,3-thiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-anilino-4-(4-fluorophenyl)-1,3-thiazol-5-yl]acetic acid
PubChem CID1282226
Molecular FormulaC17H13FN2O2S
Molecular Weight328.37 g/mol
Exact Mass328.07
IUPAC Name2-[2-anilino-4-(4-fluorophenyl)-1,3-thiazol-5-yl]acetic acid
SMILESO=C(O)Cc1sc(Nc2ccccc2)nc1-c1ccc(F)cc1
InChIInChI=1S/C17H13FN2O2S/c18-12-8-6-11(7-9-12)16-14(10-15(21)22)23-17(20-16)19-13-4-2-1-3-5-13/h1-9H,10H2,(H,19,20)(H,21,22)
InChIKeyWUAJCHANDCTZJN-UHFFFAOYSA-N
XLogP4.32
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-(Diphenylamino)-4-(4-fluorophenyl)thiazol-5-yl)acetic acid
CID 16660132
2-(2-((4-Cyanophenyl)(phenyl)amino)-4-(4-fluorophenyl)thiazol-5-yl)acetic acid
CID 16660133
2-(2-(Bis(4-fluorophenyl)amino)-4-(4-fluorophenyl)thiazol-5-yl)acetic acid
CID 16660288
2-(2-(Diphenylamino)-4-(3-fluorophenyl)thiazol-5-yl)acetic acid
CID 16660289
2-(4-(4-Chlorophenyl)-2-(diphenylamino)thiazol-5-yl)acetic acid
CID 16660290
Thiazole-5-acetic acid, 2-benzylamino-4-(p-chlorophenyl)-
CID 3054243
2-(2-Amino-4-phenyl-1,3-thiazol-5-yl)acetic acid
CID 291865
4-[(4-Phenyl-1,3-thiazol-2-yl)amino]benzoic acid
CID 877536
[2-Amino-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-5-yl]acetic acid
CID 16462824
5-Thiazoleacetic acid, 4-(4-chlorophenyl)-2-(phenylamino)-
CID 184853
NF-|E| cent activator 1
CID 151901137
DF2755A
CID 45110932

Frequently Asked Questions

What is the IUPAC name of 2-[2-anilino-4-(4-fluorophenyl)-1,3-thiazol-5-yl]acetic acid?
The IUPAC name of 2-[2-anilino-4-(4-fluorophenyl)-1,3-thiazol-5-yl]acetic acid (CID 1282226) is 2-[2-anilino-4-(4-fluorophenyl)-1,3-thiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[2-anilino-4-(4-fluorophenyl)-1,3-thiazol-5-yl]acetic acid?
The canonical SMILES for 2-[2-anilino-4-(4-fluorophenyl)-1,3-thiazol-5-yl]acetic acid is O=C(O)Cc1sc(Nc2ccccc2)nc1-c1ccc(F)cc1.
What is the InChIKey of 2-[2-anilino-4-(4-fluorophenyl)-1,3-thiazol-5-yl]acetic acid?
The InChIKey is WUAJCHANDCTZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O2S/c18-12-8-6-11(7-9-12)16-14(10-15(21)22)23-17(20-16)19-13-4-2-1-3-5-13/h1-9H,10H2,(H,19,20)(H,21,22).
What are the key properties of 2-[2-anilino-4-(4-fluorophenyl)-1,3-thiazol-5-yl]acetic acid?
2-[2-anilino-4-(4-fluorophenyl)-1,3-thiazol-5-yl]acetic acid has a molecular weight of 328.37 g/mol, XLogP of 4.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-anilino-4-(4-fluorophenyl)-1,3-thiazol-5-yl]acetic acid is sourced from PubChem (CID 1282226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).