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

C12H11BrN2OS — CID 798801

IUPAC2-(4-bromophenyl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1csc(NC(=O)Cc2ccc(Br)cc2)n1
InChIInChI=1S/C12H11BrN2OS/c1-8-7-17-12(14-8)15-11(16)6-9-2-4-10(13)5-3-9/h2-5,7H,6H2,1H3,(H,14,15,16)
InChIKeyTXCDPUXCOCLPFI-UHFFFAOYSA-N
MW311.20 g/mol
LogP3.40
Rot. Bonds3

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

2-(4-bromophenyl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 798801) has the molecular formula C12H11BrN2OS and a molecular weight of 311.20 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID798801
Molecular FormulaC12H11BrN2OS
Molecular Weight311.20 g/mol
Exact Mass309.98
IUPAC Name2-(4-bromophenyl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1csc(NC(=O)Cc2ccc(Br)cc2)n1
InChIInChI=1S/C12H11BrN2OS/c1-8-7-17-12(14-8)15-11(16)6-9-2-4-10(13)5-3-9/h2-5,7H,6H2,1H3,(H,14,15,16)
InChIKeyTXCDPUXCOCLPFI-UHFFFAOYSA-N
XLogP3.40
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.20
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methyl-1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 24534982
N-(4-bromophenyl)-N'-(4-methyl-1,3-thiazol-2-yl)butanediamide
CID 71946726
2-(4-bromophenyl)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 4673905
2-(4-butylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 30273255
4-bromo-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 683754
2-(4-bromophenyl)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 7915491
1-(4-bromophenyl)-N-(4-methyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide
CID 36600011
N-(4-methyl-1,3-thiazol-2-yl)-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide
CID 84560120
N-(4-methyl-1,3-thiazol-2-yl)-2-(4-morpholin-4-ylphenyl)acetamide
CID 110675165
N-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylacetamide
CID 6486768
N-(4-methyl-1,3-thiazol-2-yl)-3-[(2-phenylacetyl)amino]propanamide
CID 18134838
N-(4-methyl-1,3-thiazol-2-yl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 7959042

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(4-bromophenyl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide (CID 798801) is 2-(4-bromophenyl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide is Cc1csc(NC(=O)Cc2ccc(Br)cc2)n1.
What is the InChIKey of 2-(4-bromophenyl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is TXCDPUXCOCLPFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2OS/c1-8-7-17-12(14-8)15-11(16)6-9-2-4-10(13)5-3-9/h2-5,7H,6H2,1H3,(H,14,15,16).
What are the key properties of 2-(4-bromophenyl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
2-(4-bromophenyl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 311.20 g/mol, XLogP of 3.40, 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-(4-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 798801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).