2-(2-amino-1,3-thiazol-4-yl)-N-(2-bromo-5-chloro-4-methylphenyl)acetamide

C12H11BrClN3OS — CID 104723693

IUPAC2-(2-amino-1,3-thiazol-4-yl)-N-(2-bromo-5-chloro-4-methylphenyl)acetamide
SMILESCc1cc(Br)c(NC(=O)Cc2csc(N)n2)cc1Cl
InChIInChI=1S/C12H11BrClN3OS/c1-6-2-8(13)10(4-9(6)14)17-11(18)3-7-5-19-12(15)16-7/h2,4-5H,3H2,1H3,(H2,15,16)(H,17,18)
InChIKeyXMHHASZQJODVNO-UHFFFAOYSA-N
MW360.66 g/mol
LogP3.63
Rot. Bonds3

About 2-(2-amino-1,3-thiazol-4-yl)-N-(2-bromo-5-chloro-4-methylphenyl)acetamide

2-(2-amino-1,3-thiazol-4-yl)-N-(2-bromo-5-chloro-4-methylphenyl)acetamide (PubChem CID 104723693) has the molecular formula C12H11BrClN3OS and a molecular weight of 360.66 g/mol. Its IUPAC name is 2-(2-amino-1,3-thiazol-4-yl)-N-(2-bromo-5-chloro-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-amino-1,3-thiazol-4-yl)-N-(2-bromo-5-chloro-4-methylphenyl)acetamide
PubChem CID104723693
Molecular FormulaC12H11BrClN3OS
Molecular Weight360.66 g/mol
Exact Mass358.95
IUPAC Name2-(2-amino-1,3-thiazol-4-yl)-N-(2-bromo-5-chloro-4-methylphenyl)acetamide
SMILESCc1cc(Br)c(NC(=O)Cc2csc(N)n2)cc1Cl
InChIInChI=1S/C12H11BrClN3OS/c1-6-2-8(13)10(4-9(6)14)17-11(18)3-7-5-19-12(15)16-7/h2,4-5H,3H2,1H3,(H2,15,16)(H,17,18)
InChIKeyXMHHASZQJODVNO-UHFFFAOYSA-N
XLogP3.63
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.66
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-amino-1,3-thiazol-4-yl)-N-(2,5-dichloro-4-methylphenyl)acetamide
CID 104727137
2-(2-amino-1,3-thiazol-4-yl)-N-(4-bromo-2-methylphenyl)acetamide
CID 62795038
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-amino-1,3-thiazol-4-yl)-N-(4,6-dimethylpyrimidin-2-yl)acetamide
CID 62795726
2-(2-amino-1,3-thiazol-4-yl)-N-(3,5-dichloro-4-fluorophenyl)acetamide
CID 107574425
3-(2-bromo-5-chloro-4-methylanilino)-3-oxopropanoic acid
CID 104725181
2-(2-amino-1,3-thiazol-4-yl)-N-[2-chloro-4-(trifluoromethyl)phenyl]acetamide
CID 62799070
2-(2-amino-1,3-thiazol-4-yl)-N-[3-chloro-2-(dimethylamino)phenyl]acetamide
CID 62798885
2-(2-amino-1,3-thiazol-4-yl)-N-(1,3-dimethylpyrazol-4-yl)acetamide
CID 102805535
2-(2-amino-1,3-thiazol-4-yl)-N-[3-bromo-2-(methoxymethyl)phenyl]acetamide
CID 62799631
2-(2-amino-1,3-thiazol-4-yl)-N-(2-bromo-4,6-difluorophenyl)acetamide
CID 55119831

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-N-(2-bromo-5-chloro-4-methylphenyl)acetamide?
The IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-N-(2-bromo-5-chloro-4-methylphenyl)acetamide (CID 104723693) is 2-(2-amino-1,3-thiazol-4-yl)-N-(2-bromo-5-chloro-4-methylphenyl)acetamide.
What is the SMILES notation for 2-(2-amino-1,3-thiazol-4-yl)-N-(2-bromo-5-chloro-4-methylphenyl)acetamide?
The canonical SMILES for 2-(2-amino-1,3-thiazol-4-yl)-N-(2-bromo-5-chloro-4-methylphenyl)acetamide is Cc1cc(Br)c(NC(=O)Cc2csc(N)n2)cc1Cl.
What is the InChIKey of 2-(2-amino-1,3-thiazol-4-yl)-N-(2-bromo-5-chloro-4-methylphenyl)acetamide?
The InChIKey is XMHHASZQJODVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrClN3OS/c1-6-2-8(13)10(4-9(6)14)17-11(18)3-7-5-19-12(15)16-7/h2,4-5H,3H2,1H3,(H2,15,16)(H,17,18).
What are the key properties of 2-(2-amino-1,3-thiazol-4-yl)-N-(2-bromo-5-chloro-4-methylphenyl)acetamide?
2-(2-amino-1,3-thiazol-4-yl)-N-(2-bromo-5-chloro-4-methylphenyl)acetamide has a molecular weight of 360.66 g/mol, XLogP of 3.63, 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-(2-bromo-5-chloro-4-methylphenyl)acetamide is sourced from PubChem (CID 104723693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).