2-(2-amino-1,3-thiazol-4-yl)-N-(4-bromo-2-methylphenyl)acetamide

C12H12BrN3OS — CID 62795038

IUPAC2-(2-amino-1,3-thiazol-4-yl)-N-(4-bromo-2-methylphenyl)acetamide
SMILESCc1cc(Br)ccc1NC(=O)Cc1csc(N)n1
InChIInChI=1S/C12H12BrN3OS/c1-7-4-8(13)2-3-10(7)16-11(17)5-9-6-18-12(14)15-9/h2-4,6H,5H2,1H3,(H2,14,15)(H,16,17)
InChIKeyWHCQBDMTBOAWRT-UHFFFAOYSA-N
MW326.22 g/mol
LogP2.98
Rot. Bonds3

About 2-(2-amino-1,3-thiazol-4-yl)-N-(4-bromo-2-methylphenyl)acetamide

2-(2-amino-1,3-thiazol-4-yl)-N-(4-bromo-2-methylphenyl)acetamide (PubChem CID 62795038) has the molecular formula C12H12BrN3OS and a molecular weight of 326.22 g/mol. Its IUPAC name is 2-(2-amino-1,3-thiazol-4-yl)-N-(4-bromo-2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-amino-1,3-thiazol-4-yl)-N-(4-bromo-2-methylphenyl)acetamide
PubChem CID62795038
Molecular FormulaC12H12BrN3OS
Molecular Weight326.22 g/mol
Exact Mass324.99
IUPAC Name2-(2-amino-1,3-thiazol-4-yl)-N-(4-bromo-2-methylphenyl)acetamide
SMILESCc1cc(Br)ccc1NC(=O)Cc1csc(N)n1
InChIInChI=1S/C12H12BrN3OS/c1-7-4-8(13)2-3-10(7)16-11(17)5-9-6-18-12(14)15-9/h2-4,6H,5H2,1H3,(H2,14,15)(H,16,17)
InChIKeyWHCQBDMTBOAWRT-UHFFFAOYSA-N
XLogP2.98
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.22
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-amino-1,3-thiazol-4-yl)-N-(2,4-dibromophenyl)acetamide
CID 62799765
4-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-3-methylbenzamide
CID 62798358
2-(2-anilino-1,3-thiazol-4-yl)-N-(4-bromo-2-methylphenyl)acetamide
CID 30940457
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 31305423
N-(4-bromo-2-methylphenyl)-2-[4-(chloromethyl)-1,3-thiazol-2-yl]acetamide
CID 43320043
N-(4-bromo-2-methylphenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 51205873
2-(2-amino-1,3-thiazol-4-yl)-N-(2,5-dichloro-4-methylphenyl)acetamide
CID 104727137
N-(4-bromo-2-methylphenyl)-2-[2-[(3-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
CID 41211289
2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-(2,4-dimethylphenyl)acetamide
CID 43029721
N-[4-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-6-oxo-3H-pyridine-3-carboxamide
CID 73339054
2-(2-amino-1,3-thiazol-4-yl)-N-(4,6-dimethylpyrimidin-2-yl)acetamide
CID 62795726
2-(2-amino-1,3-thiazol-4-yl)-N-(4-fluoro-2-methoxyphenyl)acetamide
CID 62799641

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-N-(4-bromo-2-methylphenyl)acetamide?
The IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-N-(4-bromo-2-methylphenyl)acetamide (CID 62795038) is 2-(2-amino-1,3-thiazol-4-yl)-N-(4-bromo-2-methylphenyl)acetamide.
What is the SMILES notation for 2-(2-amino-1,3-thiazol-4-yl)-N-(4-bromo-2-methylphenyl)acetamide?
The canonical SMILES for 2-(2-amino-1,3-thiazol-4-yl)-N-(4-bromo-2-methylphenyl)acetamide is Cc1cc(Br)ccc1NC(=O)Cc1csc(N)n1.
What is the InChIKey of 2-(2-amino-1,3-thiazol-4-yl)-N-(4-bromo-2-methylphenyl)acetamide?
The InChIKey is WHCQBDMTBOAWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3OS/c1-7-4-8(13)2-3-10(7)16-11(17)5-9-6-18-12(14)15-9/h2-4,6H,5H2,1H3,(H2,14,15)(H,16,17).
What are the key properties of 2-(2-amino-1,3-thiazol-4-yl)-N-(4-bromo-2-methylphenyl)acetamide?
2-(2-amino-1,3-thiazol-4-yl)-N-(4-bromo-2-methylphenyl)acetamide has a molecular weight of 326.22 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-1,3-thiazol-4-yl)-N-(4-bromo-2-methylphenyl)acetamide is sourced from PubChem (CID 62795038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).