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

C17H14BrN3OS — CID 2230878

IUPACN-[4-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2nc(-c3ccc(Br)cc3)cs2)cc1
InChIInChI=1S/C17H14BrN3OS/c1-11(22)19-14-6-8-15(9-7-14)20-17-21-16(10-23-17)12-2-4-13(18)5-3-12/h2-10H,1H3,(H,19,22)(H,20,21)
InChIKeyWSGYHIIJOXEHLM-UHFFFAOYSA-N
MW388.29 g/mol
LogP5.27
Rot. Bonds4

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

N-[4-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide (PubChem CID 2230878) has the molecular formula C17H14BrN3OS and a molecular weight of 388.29 g/mol. Its IUPAC name is N-[4-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide
PubChem CID2230878
Molecular FormulaC17H14BrN3OS
Molecular Weight388.29 g/mol
Exact Mass387.00
IUPAC NameN-[4-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2nc(-c3ccc(Br)cc3)cs2)cc1
InChIInChI=1S/C17H14BrN3OS/c1-11(22)19-14-6-8-15(9-7-14)20-17-21-16(10-23-17)12-2-4-13(18)5-3-12/h2-10H,1H3,(H,19,22)(H,20,21)
InChIKeyWSGYHIIJOXEHLM-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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Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide?
The IUPAC name of N-[4-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide (CID 2230878) is N-[4-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-[4-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide?
The canonical SMILES for N-[4-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide is CC(=O)Nc1ccc(Nc2nc(-c3ccc(Br)cc3)cs2)cc1.
What is the InChIKey of N-[4-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide?
The InChIKey is WSGYHIIJOXEHLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrN3OS/c1-11(22)19-14-6-8-15(9-7-14)20-17-21-16(10-23-17)12-2-4-13(18)5-3-12/h2-10H,1H3,(H,19,22)(H,20,21).
What are the key properties of N-[4-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide?
N-[4-[[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-[4-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide is sourced from PubChem (CID 2230878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).