1-[4-[[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone

C18H15FN2OS — CID 84564276

IUPAC1-[4-[[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone
SMILESCC(=O)c1ccc(Nc2nc(-c3ccc(F)c(C)c3)cs2)cc1
InChIInChI=1S/C18H15FN2OS/c1-11-9-14(5-8-16(11)19)17-10-23-18(21-17)20-15-6-3-13(4-7-15)12(2)22/h3-10H,1-2H3,(H,20,21)
InChIKeyFHTFMISGYHRYJD-UHFFFAOYSA-N
MW326.40 g/mol
LogP5.20
Rot. Bonds4

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

1-[4-[[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone (PubChem CID 84564276) has the molecular formula C18H15FN2OS and a molecular weight of 326.40 g/mol. Its IUPAC name is 1-[4-[[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone
PubChem CID84564276
Molecular FormulaC18H15FN2OS
Molecular Weight326.40 g/mol
Exact Mass326.09
IUPAC Name1-[4-[[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone
SMILESCC(=O)c1ccc(Nc2nc(-c3ccc(F)c(C)c3)cs2)cc1
InChIInChI=1S/C18H15FN2OS/c1-11-9-14(5-8-16(11)19)17-10-23-18(21-17)20-15-6-3-13(4-7-15)12(2)22/h3-10H,1-2H3,(H,20,21)
InChIKeyFHTFMISGYHRYJD-UHFFFAOYSA-N
XLogP5.20
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.40
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide
CID 695901
1-[4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone
CID 84564240
5-[[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]amino]-2-hydroxybenzoic acid
CID 695909
4-(4-fluoro-3-methylphenyl)-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine
CID 5230087
1-[4-[[4-(3-aminophenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone
CID 82028259
1-[4-[[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone
CID 84564238
1-[4-[[4-(5-chloro-2-hydroxyphenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone
CID 84564308
4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]benzamide
CID 46880290
1-[4-[[4-(4-cyclohexylphenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone
CID 84564297
4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-N-methylbenzamide
CID 46880291
4-(4-fluoro-3-methylphenyl)-1,3-thiazole-2-carboxamide
CID 116967907
N,4-bis(3,4-dimethylphenyl)-1,3-thiazol-2-amine;hydrobromide
CID 2858486

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone?
The IUPAC name of 1-[4-[[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone (CID 84564276) is 1-[4-[[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone.
What is the SMILES notation for 1-[4-[[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone?
The canonical SMILES for 1-[4-[[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone is CC(=O)c1ccc(Nc2nc(-c3ccc(F)c(C)c3)cs2)cc1.
What is the InChIKey of 1-[4-[[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone?
The InChIKey is FHTFMISGYHRYJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2OS/c1-11-9-14(5-8-16(11)19)17-10-23-18(21-17)20-15-6-3-13(4-7-15)12(2)22/h3-10H,1-2H3,(H,20,21).
What are the key properties of 1-[4-[[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone?
1-[4-[[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone has a molecular weight of 326.40 g/mol, XLogP of 5.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone is sourced from PubChem (CID 84564276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).