2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide

C21H21BrN2OS — CID 16560695

IUPAC2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
SMILESCc1cccc(C(C)C)c1NC(=O)Cc1csc(-c2cccc(Br)c2)n1
InChIInChI=1S/C21H21BrN2OS/c1-13(2)18-9-4-6-14(3)20(18)24-19(25)11-17-12-26-21(23-17)15-7-5-8-16(22)10-15/h4-10,12-13H,11H2,1-3H3,(H,24,25)
InChIKeyMSBFGAPHJOCRTC-UHFFFAOYSA-N
MW429.38 g/mol
LogP6.19
Rot. Bonds5

About 2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide

2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide (PubChem CID 16560695) has the molecular formula C21H21BrN2OS and a molecular weight of 429.38 g/mol. Its IUPAC name is 2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
PubChem CID16560695
Molecular FormulaC21H21BrN2OS
Molecular Weight429.38 g/mol
Exact Mass428.06
IUPAC Name2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
SMILESCc1cccc(C(C)C)c1NC(=O)Cc1csc(-c2cccc(Br)c2)n1
InChIInChI=1S/C21H21BrN2OS/c1-13(2)18-9-4-6-14(3)20(18)24-19(25)11-17-12-26-21(23-17)15-7-5-8-16(22)10-15/h4-10,12-13H,11H2,1-3H3,(H,24,25)
InChIKeyMSBFGAPHJOCRTC-UHFFFAOYSA-N
XLogP6.19
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.38
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 16561751
2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-(2-methylphenyl)acetamide
CID 30267673
2-(2-amino-1,3-thiazol-4-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 62796221
2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-(2,4-dimethylphenyl)acetamide
CID 43029721
N-(2-methyl-6-propan-2-ylphenyl)-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide
CID 55570763
2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-pyridin-4-ylacetamide
CID 27700220
ethyl 2-[2-[[2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 16602656
2-[2-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]acetate
CID 9153877
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-[1-(3-acetamidophenyl)ethyl]-2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]acetamide
CID 55581854
2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 9455412

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide (CID 16560695) is 2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide is Cc1cccc(C(C)C)c1NC(=O)Cc1csc(-c2cccc(Br)c2)n1.
What is the InChIKey of 2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide?
The InChIKey is MSBFGAPHJOCRTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21BrN2OS/c1-13(2)18-9-4-6-14(3)20(18)24-19(25)11-17-12-26-21(23-17)15-7-5-8-16(22)10-15/h4-10,12-13H,11H2,1-3H3,(H,24,25).
What are the key properties of 2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide?
2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide has a molecular weight of 429.38 g/mol, XLogP of 6.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 16560695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).