N-[2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]ethyl]benzamide

C18H15BrN2OS — CID 127046233

IUPACN-[2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]ethyl]benzamide
SMILESO=C(NCCc1nc(-c2ccc(Br)cc2)cs1)c1ccccc1
InChIInChI=1S/C18H15BrN2OS/c19-15-8-6-13(7-9-15)16-12-23-17(21-16)10-11-20-18(22)14-4-2-1-3-5-14/h1-9,12H,10-11H2,(H,20,22)
InChIKeyZLKHLYACEUDTOA-UHFFFAOYSA-N
MW387.30 g/mol
LogP4.55
Rot. Bonds5

About N-[2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]ethyl]benzamide

N-[2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]ethyl]benzamide (PubChem CID 127046233) has the molecular formula C18H15BrN2OS and a molecular weight of 387.30 g/mol. Its IUPAC name is N-[2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]ethyl]benzamide.

Molecular Properties

Compound NameN-[2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]ethyl]benzamide
PubChem CID127046233
Molecular FormulaC18H15BrN2OS
Molecular Weight387.30 g/mol
Exact Mass386.01
IUPAC NameN-[2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]ethyl]benzamide
SMILESO=C(NCCc1nc(-c2ccc(Br)cc2)cs1)c1ccccc1
InChIInChI=1S/C18H15BrN2OS/c19-15-8-6-13(7-9-15)16-12-23-17(21-16)10-11-20-18(22)14-4-2-1-3-5-14/h1-9,12H,10-11H2,(H,20,22)
InChIKeyZLKHLYACEUDTOA-UHFFFAOYSA-N
XLogP4.55
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.30
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(4-Bromophenyl)-1,3-thiazol-2-yl]acetamide
CID 560765
4-bromo-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 988802
4-(2-methylthiazol-4-yl)-N-(3,3,3-trifluoropropyl)benzamide
CID 73504380
2-fluoro-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 7119106
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 16032033
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]thiophene-2-carboxamide
CID 5310230
2,6-difluoro-N-(2-(2-phenylthiazol-4-yl)ethyl)benzamide
CID 16194573
3-chloro-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 22583819
N-(2-(2-phenylthiazol-4-yl)ethyl)cyclohexanecarboxamide
CID 22583820
4-fluoro-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 35344738
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(2-phenyl-1,3-thiazol-4-yl)benzamide
CID 46870676
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-N-methylbenzamide
CID 73670028

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]ethyl]benzamide?
The IUPAC name of N-[2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]ethyl]benzamide (CID 127046233) is N-[2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]ethyl]benzamide.
What is the SMILES notation for N-[2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]ethyl]benzamide?
The canonical SMILES for N-[2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]ethyl]benzamide is O=C(NCCc1nc(-c2ccc(Br)cc2)cs1)c1ccccc1.
What is the InChIKey of N-[2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]ethyl]benzamide?
The InChIKey is ZLKHLYACEUDTOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN2OS/c19-15-8-6-13(7-9-15)16-12-23-17(21-16)10-11-20-18(22)14-4-2-1-3-5-14/h1-9,12H,10-11H2,(H,20,22).
What are the key properties of N-[2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]ethyl]benzamide?
N-[2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]ethyl]benzamide has a molecular weight of 387.30 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]ethyl]benzamide is sourced from PubChem (CID 127046233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).