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

C17H14FN3OS — CID 78791822

IUPAC2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-(pyridin-2-ylmethyl)acetamide
SMILESO=C(Cc1csc(-c2cccc(F)c2)n1)NCc1ccccn1
InChIInChI=1S/C17H14FN3OS/c18-13-5-3-4-12(8-13)17-21-15(11-23-17)9-16(22)20-10-14-6-1-2-7-19-14/h1-8,11H,9-10H2,(H,20,22)
InChIKeyWVWBCDTZYXQLOR-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.20
Rot. Bonds5

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

2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 78791822) has the molecular formula C17H14FN3OS and a molecular weight of 327.38 g/mol. Its IUPAC name is 2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-(pyridin-2-ylmethyl)acetamide
PubChem CID78791822
Molecular FormulaC17H14FN3OS
Molecular Weight327.38 g/mol
Exact Mass327.08
IUPAC Name2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-(pyridin-2-ylmethyl)acetamide
SMILESO=C(Cc1csc(-c2cccc(F)c2)n1)NCc1ccccn1
InChIInChI=1S/C17H14FN3OS/c18-13-5-3-4-12(8-13)17-21-15(11-23-17)9-16(22)20-10-14-6-1-2-7-19-14/h1-8,11H,9-10H2,(H,20,22)
InChIKeyWVWBCDTZYXQLOR-UHFFFAOYSA-N
XLogP3.20
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-(2-hydroxyethyl)acetamide
CID 78823529
N-cyclopentyl-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide
CID 26722000
2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-quinolin-8-ylacetamide
CID 8850099
N-cyclohexyl-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide
CID 17435272
N-(2-amino-2-ethylbutyl)-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 119639768
7-[[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]heptanoic acid
CID 119227175
1-[[[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 120544926
N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide
CID 78864681
2-[[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]butanoic acid
CID 119223235
3-fluoro-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]benzamide
CID 108748855
N'-(3-fluorophenyl)-N-(pyridin-2-ylmethyl)propanediamide
CID 108947561
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide
CID 34256999

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-(pyridin-2-ylmethyl)acetamide (CID 78791822) is 2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-(pyridin-2-ylmethyl)acetamide is O=C(Cc1csc(-c2cccc(F)c2)n1)NCc1ccccn1.
What is the InChIKey of 2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is WVWBCDTZYXQLOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3OS/c18-13-5-3-4-12(8-13)17-21-15(11-23-17)9-16(22)20-10-14-6-1-2-7-19-14/h1-8,11H,9-10H2,(H,20,22).
What are the key properties of 2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-(pyridin-2-ylmethyl)acetamide?
2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 327.38 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 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-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 78791822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).