1-(3-fluorophenyl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]ethanone

C13H13FN2OS — CID 62052236

IUPAC1-(3-fluorophenyl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]ethanone
SMILESCN(CC(=O)c1cccc(F)c1)Cc1cscn1
InChIInChI=1S/C13H13FN2OS/c1-16(6-12-8-18-9-15-12)7-13(17)10-3-2-4-11(14)5-10/h2-5,8-9H,6-7H2,1H3
InChIKeyZZHFFMVMNCYYCG-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.60
Rot. Bonds5

About 1-(3-fluorophenyl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]ethanone

1-(3-fluorophenyl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]ethanone (PubChem CID 62052236) has the molecular formula C13H13FN2OS and a molecular weight of 264.32 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]ethanone.

Molecular Properties

Compound Name1-(3-fluorophenyl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]ethanone
PubChem CID62052236
Molecular FormulaC13H13FN2OS
Molecular Weight264.32 g/mol
Exact Mass264.07
IUPAC Name1-(3-fluorophenyl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]ethanone
SMILESCN(CC(=O)c1cccc(F)c1)Cc1cscn1
InChIInChI=1S/C13H13FN2OS/c1-16(6-12-8-18-9-15-12)7-13(17)10-3-2-4-11(14)5-10/h2-5,8-9H,6-7H2,1H3
InChIKeyZZHFFMVMNCYYCG-UHFFFAOYSA-N
XLogP2.60
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-fluorophenyl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]ethanone
CID 62052817
1-(2,5-dimethylphenyl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]ethanone
CID 62051055
1-(1-benzofuran-2-yl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]ethanone
CID 62051653
3-[[[2-(3-fluorophenyl)-2-oxoethyl]-methylamino]methyl]benzonitrile
CID 62983081
1-(3-fluorophenyl)-2-[methyl(pentyl)amino]ethanone
CID 43796075
4-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]benzoic acid
CID 54885489
1-(4-fluorophenyl)-2-[(3-fluorophenyl)methyl-methylamino]ethanone
CID 60650449
4-fluoro-2-hydroxy-N-methyl-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 103829866
2-[(4-fluorophenyl)methyl-methylamino]-1-(3-methylphenyl)ethanone
CID 62029617
3-[[2-(3-fluorophenyl)-2-oxoethyl]-methylamino]-2-methylpropanenitrile
CID 62051693
1-(3-fluorophenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethanone
CID 63207392
1-(3-chlorophenyl)-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]ethanone
CID 62050486

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]ethanone?
The IUPAC name of 1-(3-fluorophenyl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]ethanone (CID 62052236) is 1-(3-fluorophenyl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]ethanone.
What is the SMILES notation for 1-(3-fluorophenyl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]ethanone?
The canonical SMILES for 1-(3-fluorophenyl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]ethanone is CN(CC(=O)c1cccc(F)c1)Cc1cscn1.
What is the InChIKey of 1-(3-fluorophenyl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]ethanone?
The InChIKey is ZZHFFMVMNCYYCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2OS/c1-16(6-12-8-18-9-15-12)7-13(17)10-3-2-4-11(14)5-10/h2-5,8-9H,6-7H2,1H3.
What are the key properties of 1-(3-fluorophenyl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]ethanone?
1-(3-fluorophenyl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]ethanone has a molecular weight of 264.32 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]ethanone is sourced from PubChem (CID 62052236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).