2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-(2-hydroxyethyl)acetamide

C13H13FN2O2S — CID 78823529

IUPAC2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-(2-hydroxyethyl)acetamide
SMILESO=C(Cc1csc(-c2cccc(F)c2)n1)NCCO
InChIInChI=1S/C13H13FN2O2S/c14-10-3-1-2-9(6-10)13-16-11(8-19-13)7-12(18)15-4-5-17/h1-3,6,8,17H,4-5,7H2,(H,15,18)
InChIKeyZGWSMFZWSMEBOP-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.60
Rot. Bonds5

About 2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-(2-hydroxyethyl)acetamide

2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-(2-hydroxyethyl)acetamide (PubChem CID 78823529) has the molecular formula C13H13FN2O2S and a molecular weight of 280.32 g/mol. Its IUPAC name is 2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-(2-hydroxyethyl)acetamide.

Molecular Properties

Compound Name2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-(2-hydroxyethyl)acetamide
PubChem CID78823529
Molecular FormulaC13H13FN2O2S
Molecular Weight280.32 g/mol
Exact Mass280.07
IUPAC Name2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-(2-hydroxyethyl)acetamide
SMILESO=C(Cc1csc(-c2cccc(F)c2)n1)NCCO
InChIInChI=1S/C13H13FN2O2S/c14-10-3-1-2-9(6-10)13-16-11(8-19-13)7-12(18)15-4-5-17/h1-3,6,8,17H,4-5,7H2,(H,15,18)
InChIKeyZGWSMFZWSMEBOP-UHFFFAOYSA-N
XLogP1.60
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-[[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]heptanoic acid
CID 119227175
2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 78791822
N-(2-amino-2-ethylbutyl)-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 119639768
N-cyclopentyl-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide
CID 26722000
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide
CID 34256999
1-[[[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 120544926
N-cyclohexyl-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide
CID 17435272
2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide
CID 38715432
2-[[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]butanoic acid
CID 119223235
N-(4-aminocyclohexyl)-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide
CID 119474502
cis-(1S,3R)-3-[[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]cyclopentane-1-carboxylic acid
CID 120675846
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide
CID 119455230

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-(2-hydroxyethyl)acetamide?
The IUPAC name of 2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-(2-hydroxyethyl)acetamide (CID 78823529) is 2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-(2-hydroxyethyl)acetamide.
What is the SMILES notation for 2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-(2-hydroxyethyl)acetamide?
The canonical SMILES for 2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-(2-hydroxyethyl)acetamide is O=C(Cc1csc(-c2cccc(F)c2)n1)NCCO.
What is the InChIKey of 2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-(2-hydroxyethyl)acetamide?
The InChIKey is ZGWSMFZWSMEBOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O2S/c14-10-3-1-2-9(6-10)13-16-11(8-19-13)7-12(18)15-4-5-17/h1-3,6,8,17H,4-5,7H2,(H,15,18).
What are the key properties of 2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-(2-hydroxyethyl)acetamide?
2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-(2-hydroxyethyl)acetamide has a molecular weight of 280.32 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-(2-hydroxyethyl)acetamide is sourced from PubChem (CID 78823529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).