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

C17H14BrN3OS — CID 84564814

IUPACN-[3-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Nc2nc(-c3ccc(Br)cc3)cs2)c1
InChIInChI=1S/C17H14BrN3OS/c1-11(22)19-14-3-2-4-15(9-14)20-17-21-16(10-23-17)12-5-7-13(18)8-6-12/h2-10H,1H3,(H,19,22)(H,20,21)
InChIKeyAHIVQSOMOLUSRB-UHFFFAOYSA-N
MW388.29 g/mol
LogP5.27
Rot. Bonds4

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

N-[3-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide (PubChem CID 84564814) has the molecular formula C17H14BrN3OS and a molecular weight of 388.29 g/mol. Its IUPAC name is N-[3-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide
PubChem CID84564814
Molecular FormulaC17H14BrN3OS
Molecular Weight388.29 g/mol
Exact Mass387.00
IUPAC NameN-[3-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Nc2nc(-c3ccc(Br)cc3)cs2)c1
InChIInChI=1S/C17H14BrN3OS/c1-11(22)19-14-3-2-4-15(9-14)20-17-21-16(10-23-17)12-5-7-13(18)8-6-12/h2-10H,1H3,(H,19,22)(H,20,21)
InChIKeyAHIVQSOMOLUSRB-UHFFFAOYSA-N
XLogP5.27
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.29
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(4-phenyl-1,3-thiazol-2-yl)amino]phenyl]acetamide
CID 84564808
N-[3-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide
CID 84565354
3-acetamido-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]benzamide
CID 41190009
N-[3-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]phenyl]acetamide
CID 84564819
N-[3-[[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]amino]phenyl]acetamide
CID 84564813
N-[3-[[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]amino]phenyl]acetamide
CID 84565384
N-[3-[[4-[4-(2-methylprop-2-enoxy)phenyl]-1,3-thiazol-2-yl]amino]phenyl]acetamide
CID 84565373
1-[3-[[4-(3-bromophenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone
CID 53338346
N-[3-[[4-(3,4-diethoxyphenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide
CID 84565401
3-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]-N-hydroxybenzeneamine oxide
CID 163174069
N-[3-[(4-acetyl-1,3-thiazol-2-yl)amino]phenyl]acetamide
CID 95477972
N-[3-[[4-(1-methyl-2-oxo-3H-indol-5-yl)-1,3-thiazol-2-yl]amino]phenyl]acetamide
CID 84565421

Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide?
The IUPAC name of N-[3-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide (CID 84564814) is N-[3-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-[3-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide?
The canonical SMILES for N-[3-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide is CC(=O)Nc1cccc(Nc2nc(-c3ccc(Br)cc3)cs2)c1.
What is the InChIKey of N-[3-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide?
The InChIKey is AHIVQSOMOLUSRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrN3OS/c1-11(22)19-14-3-2-4-15(9-14)20-17-21-16(10-23-17)12-5-7-13(18)8-6-12/h2-10H,1H3,(H,19,22)(H,20,21).
What are the key properties of N-[3-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide?
N-[3-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide has a molecular weight of 388.29 g/mol, XLogP of 5.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide is sourced from PubChem (CID 84564814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).