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

C17H13BrN2OS — CID 53338346

IUPAC1-[3-[[4-(3-bromophenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone
SMILESCC(=O)c1cccc(Nc2nc(-c3cccc(Br)c3)cs2)c1
InChIInChI=1S/C17H13BrN2OS/c1-11(21)12-4-3-7-15(9-12)19-17-20-16(10-22-17)13-5-2-6-14(18)8-13/h2-10H,1H3,(H,19,20)
InChIKeyNCCXVKDFGWZMGC-UHFFFAOYSA-N
MW373.28 g/mol
LogP5.52
Rot. Bonds4

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

1-[3-[[4-(3-bromophenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone (PubChem CID 53338346) has the molecular formula C17H13BrN2OS and a molecular weight of 373.28 g/mol. Its IUPAC name is 1-[3-[[4-(3-bromophenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-[[4-(3-bromophenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone
PubChem CID53338346
Molecular FormulaC17H13BrN2OS
Molecular Weight373.28 g/mol
Exact Mass371.99
IUPAC Name1-[3-[[4-(3-bromophenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone
SMILESCC(=O)c1cccc(Nc2nc(-c3cccc(Br)c3)cs2)c1
InChIInChI=1S/C17H13BrN2OS/c1-11(21)12-4-3-7-15(9-12)19-17-20-16(10-22-17)13-5-2-6-14(18)8-13/h2-10H,1H3,(H,19,20)
InChIKeyNCCXVKDFGWZMGC-UHFFFAOYSA-N
XLogP5.52
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.28
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide
CID 84564814
[3-[2-(3-bromoanilino)-1,3-thiazol-4-yl]phenyl] benzoate
CID 87950054
1-[3-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone
CID 53338292
1-[3-[[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone
CID 1075902
N-[3-[(4-phenyl-1,3-thiazol-2-yl)amino]phenyl]acetamide
CID 84564808
3-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]benzamide
CID 142684609
3-[(4-phenyl-1,3-thiazol-2-yl)amino]benzoic acid;hydrobromide
CID 146051372
1-[3-[[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone
CID 53338461
1-[4-[[4-(3-aminophenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone
CID 82028259
3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide
CID 58791547
3-acetamido-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]benzamide
CID 41190009
N-(3-bromophenyl)-4-(4-methylsulfonylphenyl)-1,3-thiazol-2-amine
CID 24505641

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[4-(3-bromophenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone?
The IUPAC name of 1-[3-[[4-(3-bromophenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone (CID 53338346) is 1-[3-[[4-(3-bromophenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone.
What is the SMILES notation for 1-[3-[[4-(3-bromophenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone?
The canonical SMILES for 1-[3-[[4-(3-bromophenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone is CC(=O)c1cccc(Nc2nc(-c3cccc(Br)c3)cs2)c1.
What is the InChIKey of 1-[3-[[4-(3-bromophenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone?
The InChIKey is NCCXVKDFGWZMGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrN2OS/c1-11(21)12-4-3-7-15(9-12)19-17-20-16(10-22-17)13-5-2-6-14(18)8-13/h2-10H,1H3,(H,19,20).
What are the key properties of 1-[3-[[4-(3-bromophenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone?
1-[3-[[4-(3-bromophenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone has a molecular weight of 373.28 g/mol, XLogP of 5.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[4-(3-bromophenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone is sourced from PubChem (CID 53338346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).