2-[2-(2-fluoroanilino)-4-(4-fluorophenyl)-1,3-thiazol-5-yl]acetate

C17H11F2N2O2S- — CID 7318710

IUPAC2-[2-(2-fluoroanilino)-4-(4-fluorophenyl)-1,3-thiazol-5-yl]acetate
SMILESO=C([O-])Cc1sc(Nc2ccccc2F)nc1-c1ccc(F)cc1
InChIInChI=1S/C17H12F2N2O2S/c18-11-7-5-10(6-8-11)16-14(9-15(22)23)24-17(21-16)20-13-4-2-1-3-12(13)19/h1-8H,9H2,(H,20,21)(H,22,23)/p-1
InChIKeyRSVVBUSNXGGPHL-UHFFFAOYSA-M
MW345.35 g/mol
LogP3.12
Rot. Bonds5

About 2-[2-(2-fluoroanilino)-4-(4-fluorophenyl)-1,3-thiazol-5-yl]acetate

2-[2-(2-fluoroanilino)-4-(4-fluorophenyl)-1,3-thiazol-5-yl]acetate (PubChem CID 7318710) has the molecular formula C17H11F2N2O2S- and a molecular weight of 345.35 g/mol. Its IUPAC name is 2-[2-(2-fluoroanilino)-4-(4-fluorophenyl)-1,3-thiazol-5-yl]acetate.

Molecular Properties

Compound Name2-[2-(2-fluoroanilino)-4-(4-fluorophenyl)-1,3-thiazol-5-yl]acetate
PubChem CID7318710
Molecular FormulaC17H11F2N2O2S-
Molecular Weight345.35 g/mol
Exact Mass345.05
IUPAC Name2-[2-(2-fluoroanilino)-4-(4-fluorophenyl)-1,3-thiazol-5-yl]acetate
SMILESO=C([O-])Cc1sc(Nc2ccccc2F)nc1-c1ccc(F)cc1
InChIInChI=1S/C17H12F2N2O2S/c18-11-7-5-10(6-8-11)16-14(9-15(22)23)24-17(21-16)20-13-4-2-1-3-12(13)19/h1-8H,9H2,(H,20,21)(H,22,23)/p-1
InChIKeyRSVVBUSNXGGPHL-UHFFFAOYSA-M
XLogP3.12
TPSA65.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(2-fluoroanilino)-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetic acid
CID 3145375
2-[4-(4-ethylphenyl)-2-(2-fluoroanilino)-1,3-thiazol-5-yl]acetic acid
CID 23770800
2-[2-(2-fluoroanilino)-4-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]acetic acid
CID 1342304
2-[4-(2,5-dimethoxyphenyl)-2-(2-fluoroanilino)-1,3-thiazol-5-yl]acetate
CID 7460137
2-[2-(4-bromoanilino)-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetate
CID 2175811
2-[4-(4-fluorophenyl)-2-[3-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]acetic acid
CID 29264700
N-(2,3-dimethylphenyl)-2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]acetamide
CID 8714276
ethyl 2-[[4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]amino]benzoate
CID 22911825
methyl 4-[[4-(4-fluorophenyl)-5-propyl-1,3-thiazol-2-yl]amino]benzoate
CID 1111719
2-[4-(4-fluorophenyl)-2-[(4-methylbenzoyl)amino]-1,3-thiazol-5-yl]acetic acid
CID 39200247
2-[2-(2-fluoroanilino)-4-methyl-1,3-thiazol-5-yl]ethyl nitrate
CID 18440849
2-[2-anilino-4-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]acetic acid
CID 23913706

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-fluoroanilino)-4-(4-fluorophenyl)-1,3-thiazol-5-yl]acetate?
The IUPAC name of 2-[2-(2-fluoroanilino)-4-(4-fluorophenyl)-1,3-thiazol-5-yl]acetate (CID 7318710) is 2-[2-(2-fluoroanilino)-4-(4-fluorophenyl)-1,3-thiazol-5-yl]acetate.
What is the SMILES notation for 2-[2-(2-fluoroanilino)-4-(4-fluorophenyl)-1,3-thiazol-5-yl]acetate?
The canonical SMILES for 2-[2-(2-fluoroanilino)-4-(4-fluorophenyl)-1,3-thiazol-5-yl]acetate is O=C([O-])Cc1sc(Nc2ccccc2F)nc1-c1ccc(F)cc1.
What is the InChIKey of 2-[2-(2-fluoroanilino)-4-(4-fluorophenyl)-1,3-thiazol-5-yl]acetate?
The InChIKey is RSVVBUSNXGGPHL-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H12F2N2O2S/c18-11-7-5-10(6-8-11)16-14(9-15(22)23)24-17(21-16)20-13-4-2-1-3-12(13)19/h1-8H,9H2,(H,20,21)(H,22,23)/p-1.
What are the key properties of 2-[2-(2-fluoroanilino)-4-(4-fluorophenyl)-1,3-thiazol-5-yl]acetate?
2-[2-(2-fluoroanilino)-4-(4-fluorophenyl)-1,3-thiazol-5-yl]acetate has a molecular weight of 345.35 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-fluoroanilino)-4-(4-fluorophenyl)-1,3-thiazol-5-yl]acetate is sourced from PubChem (CID 7318710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).