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

C17H14BrN3OS — CID 110317642

IUPAC3-bromo-N-[2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]benzamide
SMILESO=C(NCCc1nc(-c2cccnc2)cs1)c1cccc(Br)c1
InChIInChI=1S/C17H14BrN3OS/c18-14-5-1-3-12(9-14)17(22)20-8-6-16-21-15(11-23-16)13-4-2-7-19-10-13/h1-5,7,9-11H,6,8H2,(H,20,22)
InChIKeyKIBYLYUCFAEMHP-UHFFFAOYSA-N
MW388.29 g/mol
LogP3.94
Rot. Bonds5

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

3-bromo-N-[2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]benzamide (PubChem CID 110317642) has the molecular formula C17H14BrN3OS and a molecular weight of 388.29 g/mol. Its IUPAC name is 3-bromo-N-[2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]benzamide
PubChem CID110317642
Molecular FormulaC17H14BrN3OS
Molecular Weight388.29 g/mol
Exact Mass387.00
IUPAC Name3-bromo-N-[2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]benzamide
SMILESO=C(NCCc1nc(-c2cccnc2)cs1)c1cccc(Br)c1
InChIInChI=1S/C17H14BrN3OS/c18-14-5-1-3-12(9-14)17(22)20-8-6-16-21-15(11-23-16)13-4-2-7-19-10-13/h1-5,7,9-11H,6,8H2,(H,20,22)
InChIKeyKIBYLYUCFAEMHP-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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Related Compounds

N-[2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 110317677
2-chloro-6-fluoro-N-[2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]benzamide
CID 110317678
2,2-dimethyl-N-[2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]propanamide
CID 110317630
3-bromo-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 49357196
N-methyl-2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethanamine
CID 62543899
2-[2-(pyridine-3-carbonylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66373470
N-(2-methoxyethyl)-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
CID 110647547
3-bromo-N-[2-(1,3-thiazol-5-yl)ethyl]benzamide
CID 110717489
3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanoic acid
CID 82116416
3-methoxy-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]benzamide
CID 110317530
3-cyano-N-[2-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]ethyl]benzamide
CID 110393548
3-bromo-N-(2-pyrimidin-5-ylethyl)benzamide
CID 91813323

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]benzamide?
The IUPAC name of 3-bromo-N-[2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]benzamide (CID 110317642) is 3-bromo-N-[2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]benzamide.
What is the SMILES notation for 3-bromo-N-[2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]benzamide?
The canonical SMILES for 3-bromo-N-[2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]benzamide is O=C(NCCc1nc(-c2cccnc2)cs1)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-[2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]benzamide?
The InChIKey is KIBYLYUCFAEMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrN3OS/c18-14-5-1-3-12(9-14)17(22)20-8-6-16-21-15(11-23-16)13-4-2-7-19-10-13/h1-5,7,9-11H,6,8H2,(H,20,22).
What are the key properties of 3-bromo-N-[2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]benzamide?
3-bromo-N-[2-(4-pyridin-3-yl-1,3-thiazol-2-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 3-bromo-N-[2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]benzamide is sourced from PubChem (CID 110317642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).