1-[2-fluoro-6-[(2-phenyl-1,3-thiazol-4-yl)methylamino]phenyl]ethanone

C18H15FN2OS — CID 133331272

IUPAC1-[2-fluoro-6-[(2-phenyl-1,3-thiazol-4-yl)methylamino]phenyl]ethanone
SMILESCC(=O)c1c(F)cccc1NCc1csc(-c2ccccc2)n1
InChIInChI=1S/C18H15FN2OS/c1-12(22)17-15(19)8-5-9-16(17)20-10-14-11-23-18(21-14)13-6-3-2-4-7-13/h2-9,11,20H,10H2,1H3
InChIKeyRMQGZDKKOSHPQE-UHFFFAOYSA-N
MW326.40 g/mol
LogP4.76
Rot. Bonds5

About 1-[2-fluoro-6-[(2-phenyl-1,3-thiazol-4-yl)methylamino]phenyl]ethanone

1-[2-fluoro-6-[(2-phenyl-1,3-thiazol-4-yl)methylamino]phenyl]ethanone (PubChem CID 133331272) has the molecular formula C18H15FN2OS and a molecular weight of 326.40 g/mol. Its IUPAC name is 1-[2-fluoro-6-[(2-phenyl-1,3-thiazol-4-yl)methylamino]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-fluoro-6-[(2-phenyl-1,3-thiazol-4-yl)methylamino]phenyl]ethanone
PubChem CID133331272
Molecular FormulaC18H15FN2OS
Molecular Weight326.40 g/mol
Exact Mass326.09
IUPAC Name1-[2-fluoro-6-[(2-phenyl-1,3-thiazol-4-yl)methylamino]phenyl]ethanone
SMILESCC(=O)c1c(F)cccc1NCc1csc(-c2ccccc2)n1
InChIInChI=1S/C18H15FN2OS/c1-12(22)17-15(19)8-5-9-16(17)20-10-14-11-23-18(21-14)13-6-3-2-4-7-13/h2-9,11,20H,10H2,1H3
InChIKeyRMQGZDKKOSHPQE-UHFFFAOYSA-N
XLogP4.76
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(benzylamino)-6-fluorophenyl]ethanone
CID 52521850
N-(2-fluorophenyl)-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfinyl]propanamide
CID 56808134
1-(2-fluorophenyl)-2-[(2-phenyl-1,3-thiazol-4-yl)methylamino]ethanol
CID 110901257
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-fluoroaniline
CID 115686019
N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-2-methylpyridin-3-amine
CID 79042851
1-[2-fluoro-6-[(2-phenylmethoxy-4-pyridinyl)methylamino]phenyl]ethanone
CID 60505202
N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 31473967
5-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 133331350
2-ethyl-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]aniline
CID 78817000
methyl 4-chloro-2-[(2-phenyl-1,3-thiazol-4-yl)methylamino]-1,3-thiazole-5-carboxylate
CID 133331356
[2-(4-ethylphenyl)-1,3-thiazol-4-yl]methyl 2,6-difluorobenzoate
CID 40747613
4-ethyl-2-phenyl-1,3-thiazole
CID 5324799

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-6-[(2-phenyl-1,3-thiazol-4-yl)methylamino]phenyl]ethanone?
The IUPAC name of 1-[2-fluoro-6-[(2-phenyl-1,3-thiazol-4-yl)methylamino]phenyl]ethanone (CID 133331272) is 1-[2-fluoro-6-[(2-phenyl-1,3-thiazol-4-yl)methylamino]phenyl]ethanone.
What is the SMILES notation for 1-[2-fluoro-6-[(2-phenyl-1,3-thiazol-4-yl)methylamino]phenyl]ethanone?
The canonical SMILES for 1-[2-fluoro-6-[(2-phenyl-1,3-thiazol-4-yl)methylamino]phenyl]ethanone is CC(=O)c1c(F)cccc1NCc1csc(-c2ccccc2)n1.
What is the InChIKey of 1-[2-fluoro-6-[(2-phenyl-1,3-thiazol-4-yl)methylamino]phenyl]ethanone?
The InChIKey is RMQGZDKKOSHPQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2OS/c1-12(22)17-15(19)8-5-9-16(17)20-10-14-11-23-18(21-14)13-6-3-2-4-7-13/h2-9,11,20H,10H2,1H3.
What are the key properties of 1-[2-fluoro-6-[(2-phenyl-1,3-thiazol-4-yl)methylamino]phenyl]ethanone?
1-[2-fluoro-6-[(2-phenyl-1,3-thiazol-4-yl)methylamino]phenyl]ethanone has a molecular weight of 326.40 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-6-[(2-phenyl-1,3-thiazol-4-yl)methylamino]phenyl]ethanone is sourced from PubChem (CID 133331272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).