2-(4-bromophenyl)-N-(1,3-thiazol-2-yl)acetamide

C11H9BrN2OS — CID 669868

IUPAC2-(4-bromophenyl)-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(Cc1ccc(Br)cc1)Nc1nccs1
InChIInChI=1S/C11H9BrN2OS/c12-9-3-1-8(2-4-9)7-10(15)14-11-13-5-6-16-11/h1-6H,7H2,(H,13,14,15)
InChIKeyONKKUHNUCHZGFS-UHFFFAOYSA-N
MW297.18 g/mol
LogP3.09
Rot. Bonds3

About 2-(4-bromophenyl)-N-(1,3-thiazol-2-yl)acetamide

2-(4-bromophenyl)-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 669868) has the molecular formula C11H9BrN2OS and a molecular weight of 297.18 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-(1,3-thiazol-2-yl)acetamide
PubChem CID669868
Molecular FormulaC11H9BrN2OS
Molecular Weight297.18 g/mol
Exact Mass295.96
IUPAC Name2-(4-bromophenyl)-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(Cc1ccc(Br)cc1)Nc1nccs1
InChIInChI=1S/C11H9BrN2OS/c12-9-3-1-8(2-4-9)7-10(15)14-11-13-5-6-16-11/h1-6H,7H2,(H,13,14,15)
InChIKeyONKKUHNUCHZGFS-UHFFFAOYSA-N
XLogP3.09
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.18
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 770967
(2R)-2-bromo-3-(4-bromophenyl)-N-(1,3-thiazol-2-yl)propanamide
CID 1184208
2-(2-bromophenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 102584550
2-(4-pyridin-2-ylphenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 172559309
4-(4-bromophenoxy)-N-(1,3-thiazol-2-yl)butanamide
CID 2679212
2-[4-(difluoromethoxy)phenyl]-N-(1,3-thiazol-2-yl)acetamide
CID 33234261
2-(3,4-dimethoxyphenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 648788
2-[4-(1,3-dioxoisoindol-2-yl)phenyl]-N-(1,3-thiazol-2-yl)acetamide
CID 66491223
2-(3-methylphenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 6468138
2-(4-bromo-2-ethylphenoxy)-N-(1,3-thiazol-2-yl)acetamide
CID 19202117
2-(4-bromophenyl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 798801
4-bromo-N-tert-butyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide
CID 3494615

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(4-bromophenyl)-N-(1,3-thiazol-2-yl)acetamide (CID 669868) is 2-(4-bromophenyl)-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-(1,3-thiazol-2-yl)acetamide is O=C(Cc1ccc(Br)cc1)Nc1nccs1.
What is the InChIKey of 2-(4-bromophenyl)-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is ONKKUHNUCHZGFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2OS/c12-9-3-1-8(2-4-9)7-10(15)14-11-13-5-6-16-11/h1-6H,7H2,(H,13,14,15).
What are the key properties of 2-(4-bromophenyl)-N-(1,3-thiazol-2-yl)acetamide?
2-(4-bromophenyl)-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 297.18 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 669868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).