2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-(2-thiophen-2-ylphenyl)acetamide

C21H15BrN2OS2 — CID 24568091

IUPAC2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-(2-thiophen-2-ylphenyl)acetamide
SMILESO=C(Cc1csc(-c2cccc(Br)c2)n1)Nc1ccccc1-c1cccs1
InChIInChI=1S/C21H15BrN2OS2/c22-15-6-3-5-14(11-15)21-23-16(13-27-21)12-20(25)24-18-8-2-1-7-17(18)19-9-4-10-26-19/h1-11,13H,12H2,(H,24,25)
InChIKeyKNQSRTHTTLLJJA-UHFFFAOYSA-N
MW455.40 g/mol
LogP6.48
Rot. Bonds5

About 2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-(2-thiophen-2-ylphenyl)acetamide

2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-(2-thiophen-2-ylphenyl)acetamide (PubChem CID 24568091) has the molecular formula C21H15BrN2OS2 and a molecular weight of 455.40 g/mol. Its IUPAC name is 2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-(2-thiophen-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-(2-thiophen-2-ylphenyl)acetamide
PubChem CID24568091
Molecular FormulaC21H15BrN2OS2
Molecular Weight455.40 g/mol
Exact Mass453.98
IUPAC Name2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-(2-thiophen-2-ylphenyl)acetamide
SMILESO=C(Cc1csc(-c2cccc(Br)c2)n1)Nc1ccccc1-c1cccs1
InChIInChI=1S/C21H15BrN2OS2/c22-15-6-3-5-14(11-15)21-23-16(13-27-21)12-20(25)24-18-8-2-1-7-17(18)19-9-4-10-26-19/h1-11,13H,12H2,(H,24,25)
InChIKeyKNQSRTHTTLLJJA-UHFFFAOYSA-N
XLogP6.48
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.40
LogP ≤ 56.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-(2-methylphenyl)acetamide
CID 30267673
2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-pyridin-4-ylacetamide
CID 27700220
2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-[2-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 55507894
2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-(2,4-dimethylphenyl)acetamide
CID 43029721
2-[[2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]acetyl]amino]-N-(2-methylpropyl)benzamide
CID 134044674
N-[3-[[2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]acetyl]amino]phenyl]-2,2-dimethylpropanamide
CID 55537490
N-(2-amino-2-methylpropyl)-2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 119629857
2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 16560695
N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]acetamide
CID 16563446
2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-[2-(ethylamino)-2-oxoethyl]acetamide
CID 9489302
N-(2-chlorophenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 8745943
2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-(2-phenoxyethyl)acetamide
CID 29426799

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-(2-thiophen-2-ylphenyl)acetamide?
The IUPAC name of 2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-(2-thiophen-2-ylphenyl)acetamide (CID 24568091) is 2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-(2-thiophen-2-ylphenyl)acetamide.
What is the SMILES notation for 2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-(2-thiophen-2-ylphenyl)acetamide?
The canonical SMILES for 2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-(2-thiophen-2-ylphenyl)acetamide is O=C(Cc1csc(-c2cccc(Br)c2)n1)Nc1ccccc1-c1cccs1.
What is the InChIKey of 2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-(2-thiophen-2-ylphenyl)acetamide?
The InChIKey is KNQSRTHTTLLJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15BrN2OS2/c22-15-6-3-5-14(11-15)21-23-16(13-27-21)12-20(25)24-18-8-2-1-7-17(18)19-9-4-10-26-19/h1-11,13H,12H2,(H,24,25).
What are the key properties of 2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-(2-thiophen-2-ylphenyl)acetamide?
2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-(2-thiophen-2-ylphenyl)acetamide has a molecular weight of 455.40 g/mol, XLogP of 6.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-(2-thiophen-2-ylphenyl)acetamide is sourced from PubChem (CID 24568091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).