N-[3-fluoro-4-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]phenyl]acetamide

C17H13FN2O2S — CID 135569925

IUPACN-[3-fluoro-4-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2csc(-c3ccc(O)cc3)n2)c(F)c1
InChIInChI=1S/C17H13FN2O2S/c1-10(21)19-12-4-7-14(15(18)8-12)16-9-23-17(20-16)11-2-5-13(22)6-3-11/h2-9,22H,1H3,(H,19,21)
InChIKeyYPBGMIJBSVYXOC-UHFFFAOYSA-N
MW328.37 g/mol
LogP4.28
Rot. Bonds3

About N-[3-fluoro-4-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]phenyl]acetamide

N-[3-fluoro-4-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]phenyl]acetamide (PubChem CID 135569925) has the molecular formula C17H13FN2O2S and a molecular weight of 328.37 g/mol. Its IUPAC name is N-[3-fluoro-4-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-fluoro-4-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]phenyl]acetamide
PubChem CID135569925
Molecular FormulaC17H13FN2O2S
Molecular Weight328.37 g/mol
Exact Mass328.07
IUPAC NameN-[3-fluoro-4-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2csc(-c3ccc(O)cc3)n2)c(F)c1
InChIInChI=1S/C17H13FN2O2S/c1-10(21)19-12-4-7-14(15(18)8-12)16-9-23-17(20-16)11-2-5-13(22)6-3-11/h2-9,22H,1H3,(H,19,21)
InChIKeyYPBGMIJBSVYXOC-UHFFFAOYSA-N
XLogP4.28
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-fluoro-4-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]phenyl]acetamide
CID 9356448
N-[3-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]phenyl]cyclopropanecarboxamide
CID 9173860
N-[4-[2-(dimethylamino)-1,3-thiazol-4-yl]-3-fluorophenyl]acetamide
CID 9356412
N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 24556479
N-[3-acetamido-4-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]phenyl]acetamide
CID 9421199
N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 17404298
N-[3-fluoro-4-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]phenyl]acetamide
CID 9356323
trans-(1R,2R)-N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-2-methylcyclopropane-1-carboxamide
CID 40856431
N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 55460596
N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-1-aminocyclohexane-1-carboxamide
CID 119275665
4-[4-(2-bromo-4-fluorophenyl)-1,3-thiazol-2-yl]phenol
CID 136794251
(E)-N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-3-thiophen-3-ylprop-2-enamide
CID 24556381

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]phenyl]acetamide?
The IUPAC name of N-[3-fluoro-4-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]phenyl]acetamide (CID 135569925) is N-[3-fluoro-4-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-fluoro-4-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]phenyl]acetamide?
The canonical SMILES for N-[3-fluoro-4-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]phenyl]acetamide is CC(=O)Nc1ccc(-c2csc(-c3ccc(O)cc3)n2)c(F)c1.
What is the InChIKey of N-[3-fluoro-4-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]phenyl]acetamide?
The InChIKey is YPBGMIJBSVYXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O2S/c1-10(21)19-12-4-7-14(15(18)8-12)16-9-23-17(20-16)11-2-5-13(22)6-3-11/h2-9,22H,1H3,(H,19,21).
What are the key properties of N-[3-fluoro-4-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]phenyl]acetamide?
N-[3-fluoro-4-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]phenyl]acetamide has a molecular weight of 328.37 g/mol, XLogP of 4.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]phenyl]acetamide is sourced from PubChem (CID 135569925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).