2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]-N-pyridin-4-ylacetamide

C17H14FN3OS — CID 48673152

IUPAC2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]-N-pyridin-4-ylacetamide
SMILESO=C(Cc1csc(Cc2ccc(F)cc2)n1)Nc1ccncc1
InChIInChI=1S/C17H14FN3OS/c18-13-3-1-12(2-4-13)9-17-21-15(11-23-17)10-16(22)20-14-5-7-19-8-6-14/h1-8,11H,9-10H2,(H,19,20,22)
InChIKeyPYTNQHOYAGNDJS-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.45
Rot. Bonds5

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

2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]-N-pyridin-4-ylacetamide (PubChem CID 48673152) has the molecular formula C17H14FN3OS and a molecular weight of 327.38 g/mol. Its IUPAC name is 2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]-N-pyridin-4-ylacetamide.

Molecular Properties

Compound Name2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]-N-pyridin-4-ylacetamide
PubChem CID48673152
Molecular FormulaC17H14FN3OS
Molecular Weight327.38 g/mol
Exact Mass327.08
IUPAC Name2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]-N-pyridin-4-ylacetamide
SMILESO=C(Cc1csc(Cc2ccc(F)cc2)n1)Nc1ccncc1
InChIInChI=1S/C17H14FN3OS/c18-13-3-1-12(2-4-13)9-17-21-15(11-23-17)10-16(22)20-14-5-7-19-8-6-14/h1-8,11H,9-10H2,(H,19,20,22)
InChIKeyPYTNQHOYAGNDJS-UHFFFAOYSA-N
XLogP3.45
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 ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-2-[2-(2-pyridin-4-ylethyl)-1,3-thiazol-4-yl]acetamide
CID 110389679
2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]-N-[2-(methylamino)ethyl]acetamide
CID 119501988
methyl 2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]acetate
CID 94276829
2-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-N-(4-fluorophenyl)acetamide
CID 110386782
2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]-N-(2-hydroxypropyl)acetamide
CID 110907848
2-(2-amino-1,3-thiazol-4-yl)-N-pyridin-4-ylacetamide
CID 62795383
N-(1-amino-2-methylpropan-2-yl)-2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 119523102
(2R)-2-[[2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]acetyl]amino]-3-methylbutanoic acid
CID 119368491
N-(4-fluorophenyl)-2-pyridin-4-ylacetamide
CID 110697317
2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]-N-pyrrolidin-3-ylacetamide;dihydrochloride
CID 119451715
2-(2-benzyl-1,3-thiazol-4-yl)-N-(2-fluorophenyl)acetamide
CID 38765206
N-(4-methoxyphenyl)-2-[2-(2-pyridin-4-ylethyl)-1,3-thiazol-4-yl]acetamide
CID 110389689

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]-N-pyridin-4-ylacetamide?
The IUPAC name of 2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]-N-pyridin-4-ylacetamide (CID 48673152) is 2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]-N-pyridin-4-ylacetamide.
What is the SMILES notation for 2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]-N-pyridin-4-ylacetamide?
The canonical SMILES for 2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]-N-pyridin-4-ylacetamide is O=C(Cc1csc(Cc2ccc(F)cc2)n1)Nc1ccncc1.
What is the InChIKey of 2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]-N-pyridin-4-ylacetamide?
The InChIKey is PYTNQHOYAGNDJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3OS/c18-13-3-1-12(2-4-13)9-17-21-15(11-23-17)10-16(22)20-14-5-7-19-8-6-14/h1-8,11H,9-10H2,(H,19,20,22).
What are the key properties of 2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]-N-pyridin-4-ylacetamide?
2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]-N-pyridin-4-ylacetamide has a molecular weight of 327.38 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]-N-pyridin-4-ylacetamide is sourced from PubChem (CID 48673152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).