N-[4-[(2-acetyl-5-fluoroanilino)methyl]-1,3-thiazol-2-yl]acetamide

C14H14FN3O2S — CID 86788063

IUPACN-[4-[(2-acetyl-5-fluoroanilino)methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(CNc2cc(F)ccc2C(C)=O)cs1
InChIInChI=1S/C14H14FN3O2S/c1-8(19)12-4-3-10(15)5-13(12)16-6-11-7-21-14(18-11)17-9(2)20/h3-5,7,16H,6H2,1-2H3,(H,17,18,20)
InChIKeyNYQYDJJHDICIQH-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.06
Rot. Bonds5

About N-[4-[(2-acetyl-5-fluoroanilino)methyl]-1,3-thiazol-2-yl]acetamide

N-[4-[(2-acetyl-5-fluoroanilino)methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 86788063) has the molecular formula C14H14FN3O2S and a molecular weight of 307.35 g/mol. Its IUPAC name is N-[4-[(2-acetyl-5-fluoroanilino)methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-[(2-acetyl-5-fluoroanilino)methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID86788063
Molecular FormulaC14H14FN3O2S
Molecular Weight307.35 g/mol
Exact Mass307.08
IUPAC NameN-[4-[(2-acetyl-5-fluoroanilino)methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(CNc2cc(F)ccc2C(C)=O)cs1
InChIInChI=1S/C14H14FN3O2S/c1-8(19)12-4-3-10(15)5-13(12)16-6-11-7-21-14(18-11)17-9(2)20/h3-5,7,16H,6H2,1-2H3,(H,17,18,20)
InChIKeyNYQYDJJHDICIQH-UHFFFAOYSA-N
XLogP3.06
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(5-cyano-2-methylsulfanylanilino)methyl]-1,3-thiazol-2-yl]acetamide
CID 75376147
N-[4-[(N-ethyl-4-fluoroanilino)methyl]-1,3-thiazol-2-yl]acetamide
CID 78825720
N-[4-(chloromethyl)-1,3-thiazol-2-yl]-4-fluoro-2-methylbenzamide
CID 113400039
N-[4-[(2-amino-4-fluorophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 43304111
4-[(2-bromo-5-fluoroanilino)methyl]-1,3-thiazole-2-carboxylic acid
CID 107636661
N-[4-[(prop-2-ynylamino)methyl]-1,3-thiazol-2-yl]acetamide
CID 130734517
N-[4-[(2-fluorophenoxy)methyl]-1,3-thiazol-2-yl]acetamide
CID 47137996
2-[(2-acetamido-1,3-thiazol-4-yl)methylamino]propanoic acid
CID 43466795
N-(4-acetyl-1,3-thiazol-2-yl)-2-amino-4-fluorobenzamide
CID 64556746
N-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]acetamide
CID 47263059
1-(2-cyano-4-fluorophenyl)-3-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]urea
CID 71857754
N-[4-[(2-acetamido-1,3-thiazol-4-yl)methylamino]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 86591540

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-acetyl-5-fluoroanilino)methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-[(2-acetyl-5-fluoroanilino)methyl]-1,3-thiazol-2-yl]acetamide (CID 86788063) is N-[4-[(2-acetyl-5-fluoroanilino)methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-[(2-acetyl-5-fluoroanilino)methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-[(2-acetyl-5-fluoroanilino)methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(CNc2cc(F)ccc2C(C)=O)cs1.
What is the InChIKey of N-[4-[(2-acetyl-5-fluoroanilino)methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is NYQYDJJHDICIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O2S/c1-8(19)12-4-3-10(15)5-13(12)16-6-11-7-21-14(18-11)17-9(2)20/h3-5,7,16H,6H2,1-2H3,(H,17,18,20).
What are the key properties of N-[4-[(2-acetyl-5-fluoroanilino)methyl]-1,3-thiazol-2-yl]acetamide?
N-[4-[(2-acetyl-5-fluoroanilino)methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 307.35 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-acetyl-5-fluoroanilino)methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 86788063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).