2-[4-bromo-N-(4,5-dihydro-1,3-thiazol-2-yl)anilino]-1-(4-fluorophenyl)ethanone

C17H14BrFN2OS — CID 45135393

IUPAC2-[4-bromo-N-(4,5-dihydro-1,3-thiazol-2-yl)anilino]-1-(4-fluorophenyl)ethanone
SMILESO=C(CN(C1=NCCS1)c1ccc(Br)cc1)c1ccc(F)cc1
InChIInChI=1S/C17H14BrFN2OS/c18-13-3-7-15(8-4-13)21(17-20-9-10-23-17)11-16(22)12-1-5-14(19)6-2-12/h1-8H,9-11H2
InChIKeyWFFMZJFGOZHAMN-UHFFFAOYSA-N
MW393.28 g/mol
LogP4.38
Rot. Bonds4

About 2-[4-bromo-N-(4,5-dihydro-1,3-thiazol-2-yl)anilino]-1-(4-fluorophenyl)ethanone

2-[4-bromo-N-(4,5-dihydro-1,3-thiazol-2-yl)anilino]-1-(4-fluorophenyl)ethanone (PubChem CID 45135393) has the molecular formula C17H14BrFN2OS and a molecular weight of 393.28 g/mol. Its IUPAC name is 2-[4-bromo-N-(4,5-dihydro-1,3-thiazol-2-yl)anilino]-1-(4-fluorophenyl)ethanone.

Molecular Properties

Compound Name2-[4-bromo-N-(4,5-dihydro-1,3-thiazol-2-yl)anilino]-1-(4-fluorophenyl)ethanone
PubChem CID45135393
Molecular FormulaC17H14BrFN2OS
Molecular Weight393.28 g/mol
Exact Mass392.00
IUPAC Name2-[4-bromo-N-(4,5-dihydro-1,3-thiazol-2-yl)anilino]-1-(4-fluorophenyl)ethanone
SMILESO=C(CN(C1=NCCS1)c1ccc(Br)cc1)c1ccc(F)cc1
InChIInChI=1S/C17H14BrFN2OS/c18-13-3-7-15(8-4-13)21(17-20-9-10-23-17)11-16(22)12-1-5-14(19)6-2-12/h1-8H,9-11H2
InChIKeyWFFMZJFGOZHAMN-UHFFFAOYSA-N
XLogP4.38
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.28
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-bromo-N-(5,6-dihydro-4H-1,3-thiazin-2-yl)anilino]-1-(4-fluorophenyl)ethanone
CID 4751711
2-[4-bromo-N-(4,5-dihydro-1,3-thiazol-2-yl)anilino]-1-(3,4-dimethoxyphenyl)ethanone;hydrobromide
CID 45123587
2-[N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-4-methoxyanilino]-1-(4-fluorophenyl)ethanone
CID 5302012
1-(4-chlorophenyl)-2-[N-(4,5-dihydro-1,3-thiazol-2-yl)anilino]ethanone
CID 45135434
1-(4-bromophenyl)-2-(N-ethyl-4-fluoroanilino)ethanone
CID 63566302
1-(4-tert-butylphenyl)-2-[N-(5,6-dihydro-4H-1,3-thiazin-2-yl)anilino]ethanone
CID 4751370
1-(4-bromophenyl)-3-(4-fluorophenyl)propane-1,3-dione
CID 131954889
2-[4-chloro-N-(5,6-dihydro-4H-1,3-thiazin-2-yl)anilino]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone;hydrobromide
CID 45136118
1-(4-bromophenyl)-2-[4-ethoxy-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)anilino]ethanone
CID 4752515
2-[N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-3-methylanilino]-1-(4-ethoxyphenyl)ethanone
CID 4751114
1-(4-bromophenyl)-2-[3-methyl-N-(2,3,4,5-tetrahydropyridin-6-yl)anilino]ethanone;hydrobromide
CID 45136248
1-(4-bromophenyl)-3-(4-fluoroanilino)propan-1-one
CID 3403604

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-N-(4,5-dihydro-1,3-thiazol-2-yl)anilino]-1-(4-fluorophenyl)ethanone?
The IUPAC name of 2-[4-bromo-N-(4,5-dihydro-1,3-thiazol-2-yl)anilino]-1-(4-fluorophenyl)ethanone (CID 45135393) is 2-[4-bromo-N-(4,5-dihydro-1,3-thiazol-2-yl)anilino]-1-(4-fluorophenyl)ethanone.
What is the SMILES notation for 2-[4-bromo-N-(4,5-dihydro-1,3-thiazol-2-yl)anilino]-1-(4-fluorophenyl)ethanone?
The canonical SMILES for 2-[4-bromo-N-(4,5-dihydro-1,3-thiazol-2-yl)anilino]-1-(4-fluorophenyl)ethanone is O=C(CN(C1=NCCS1)c1ccc(Br)cc1)c1ccc(F)cc1.
What is the InChIKey of 2-[4-bromo-N-(4,5-dihydro-1,3-thiazol-2-yl)anilino]-1-(4-fluorophenyl)ethanone?
The InChIKey is WFFMZJFGOZHAMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrFN2OS/c18-13-3-7-15(8-4-13)21(17-20-9-10-23-17)11-16(22)12-1-5-14(19)6-2-12/h1-8H,9-11H2.
What are the key properties of 2-[4-bromo-N-(4,5-dihydro-1,3-thiazol-2-yl)anilino]-1-(4-fluorophenyl)ethanone?
2-[4-bromo-N-(4,5-dihydro-1,3-thiazol-2-yl)anilino]-1-(4-fluorophenyl)ethanone has a molecular weight of 393.28 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-N-(4,5-dihydro-1,3-thiazol-2-yl)anilino]-1-(4-fluorophenyl)ethanone is sourced from PubChem (CID 45135393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).