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

C17H14BrN3OS — CID 7119145

IUPAC2-bromo-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzamide
SMILESO=C(NCCc1csc(-c2cccnc2)n1)c1ccccc1Br
InChIInChI=1S/C17H14BrN3OS/c18-15-6-2-1-5-14(15)16(22)20-9-7-13-11-23-17(21-13)12-4-3-8-19-10-12/h1-6,8,10-11H,7,9H2,(H,20,22)
InChIKeyNRALNRDJXAGCGF-UHFFFAOYSA-N
MW388.29 g/mol
LogP3.94
Rot. Bonds5

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

2-bromo-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzamide (PubChem CID 7119145) has the molecular formula C17H14BrN3OS and a molecular weight of 388.29 g/mol. Its IUPAC name is 2-bromo-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzamide
PubChem CID7119145
Molecular FormulaC17H14BrN3OS
Molecular Weight388.29 g/mol
Exact Mass387.00
IUPAC Name2-bromo-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzamide
SMILESO=C(NCCc1csc(-c2cccnc2)n1)c1ccccc1Br
InChIInChI=1S/C17H14BrN3OS/c18-15-6-2-1-5-14(15)16(22)20-9-7-13-11-23-17(21-13)12-4-3-8-19-10-12/h1-6,8,10-11H,7,9H2,(H,20,22)
InChIKeyNRALNRDJXAGCGF-UHFFFAOYSA-N
XLogP3.94
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.29
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzamide?
The IUPAC name of 2-bromo-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzamide (CID 7119145) is 2-bromo-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzamide.
What is the SMILES notation for 2-bromo-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzamide?
The canonical SMILES for 2-bromo-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzamide is O=C(NCCc1csc(-c2cccnc2)n1)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzamide?
The InChIKey is NRALNRDJXAGCGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrN3OS/c18-15-6-2-1-5-14(15)16(22)20-9-7-13-11-23-17(21-13)12-4-3-8-19-10-12/h1-6,8,10-11H,7,9H2,(H,20,22).
What are the key properties of 2-bromo-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzamide?
2-bromo-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzamide has a molecular weight of 388.29 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzamide is sourced from PubChem (CID 7119145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).