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

C18H15BrN2OS — CID 604437

IUPAC4-bromo-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]benzamide
SMILESO=C(NCCc1nc(-c2ccccc2)cs1)c1ccc(Br)cc1
InChIInChI=1S/C18H15BrN2OS/c19-15-8-6-14(7-9-15)18(22)20-11-10-17-21-16(12-23-17)13-4-2-1-3-5-13/h1-9,12H,10-11H2,(H,20,22)
InChIKeyNCRGMRNCZDGPKR-UHFFFAOYSA-N
MW387.30 g/mol
LogP4.55
Rot. Bonds5

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

4-bromo-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]benzamide (PubChem CID 604437) has the molecular formula C18H15BrN2OS and a molecular weight of 387.30 g/mol. Its IUPAC name is 4-bromo-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]benzamide
PubChem CID604437
Molecular FormulaC18H15BrN2OS
Molecular Weight387.30 g/mol
Exact Mass386.01
IUPAC Name4-bromo-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]benzamide
SMILESO=C(NCCc1nc(-c2ccccc2)cs1)c1ccc(Br)cc1
InChIInChI=1S/C18H15BrN2OS/c19-15-8-6-14(7-9-15)18(22)20-11-10-17-21-16(12-23-17)13-4-2-1-3-5-13/h1-9,12H,10-11H2,(H,20,22)
InChIKeyNCRGMRNCZDGPKR-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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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]benzamide?
The IUPAC name of 4-bromo-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]benzamide (CID 604437) is 4-bromo-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]benzamide.
What is the SMILES notation for 4-bromo-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]benzamide?
The canonical SMILES for 4-bromo-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]benzamide is O=C(NCCc1nc(-c2ccccc2)cs1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]benzamide?
The InChIKey is NCRGMRNCZDGPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN2OS/c19-15-8-6-14(7-9-15)18(22)20-11-10-17-21-16(12-23-17)13-4-2-1-3-5-13/h1-9,12H,10-11H2,(H,20,22).
What are the key properties of 4-bromo-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]benzamide?
4-bromo-N-[2-(4-phenyl-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 4-bromo-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]benzamide is sourced from PubChem (CID 604437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).