2-amino-N-(4-bromo-2,6-dimethylphenyl)-1,3-thiazole-4-carboxamide

C12H12BrN3OS — CID 55116293

IUPAC2-amino-N-(4-bromo-2,6-dimethylphenyl)-1,3-thiazole-4-carboxamide
SMILESCc1cc(Br)cc(C)c1NC(=O)c1csc(N)n1
InChIInChI=1S/C12H12BrN3OS/c1-6-3-8(13)4-7(2)10(6)16-11(17)9-5-18-12(14)15-9/h3-5H,1-2H3,(H2,14,15)(H,16,17)
InChIKeyIGHKJXNPJBIYLR-UHFFFAOYSA-N
MW326.22 g/mol
LogP3.36
Rot. Bonds2

About 2-amino-N-(4-bromo-2,6-dimethylphenyl)-1,3-thiazole-4-carboxamide

2-amino-N-(4-bromo-2,6-dimethylphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 55116293) has the molecular formula C12H12BrN3OS and a molecular weight of 326.22 g/mol. Its IUPAC name is 2-amino-N-(4-bromo-2,6-dimethylphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-(4-bromo-2,6-dimethylphenyl)-1,3-thiazole-4-carboxamide
PubChem CID55116293
Molecular FormulaC12H12BrN3OS
Molecular Weight326.22 g/mol
Exact Mass324.99
IUPAC Name2-amino-N-(4-bromo-2,6-dimethylphenyl)-1,3-thiazole-4-carboxamide
SMILESCc1cc(Br)cc(C)c1NC(=O)c1csc(N)n1
InChIInChI=1S/C12H12BrN3OS/c1-6-3-8(13)4-7(2)10(6)16-11(17)9-5-18-12(14)15-9/h3-5H,1-2H3,(H2,14,15)(H,16,17)
InChIKeyIGHKJXNPJBIYLR-UHFFFAOYSA-N
XLogP3.36
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.22
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(2,4,6-tribromophenyl)-1,3-thiazole-4-carboxamide
CID 62786642
2-amino-N-(4-bromo-2,6-dichlorophenyl)-1,3-thiazole-4-carboxamide
CID 55116387
2-amino-N-(2,6-dibromo-4-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 114209117
N-(2-amino-4,6-dibromophenyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 65199792
2-amino-N-(2,5-dichloro-4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 113445874
2-amino-N-(5-chloro-2-methylphenyl)-1,3-thiazole-4-carboxamide
CID 55116247
2-amino-N-(6-bromonaphthalen-2-yl)-1,3-thiazole-4-carboxamide
CID 81259724
N-(4-bromo-2,6-dimethylphenyl)-2-methyl-1,3-oxazole-4-carboxamide
CID 100801901
2-amino-N-(2,6-diethylphenyl)-1,3-thiazole-4-carboxamide
CID 55115870
2-amino-N-(4-fluoro-3-methylphenyl)-1,3-thiazole-4-carboxamide
CID 55119460
2-amino-N-(5-fluoro-2-methylphenyl)-1,3-thiazole-4-carboxamide
CID 55116155
N-(2,6-dimethyl-4-sulfamoylphenyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 65198450

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-bromo-2,6-dimethylphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-amino-N-(4-bromo-2,6-dimethylphenyl)-1,3-thiazole-4-carboxamide (CID 55116293) is 2-amino-N-(4-bromo-2,6-dimethylphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-amino-N-(4-bromo-2,6-dimethylphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-amino-N-(4-bromo-2,6-dimethylphenyl)-1,3-thiazole-4-carboxamide is Cc1cc(Br)cc(C)c1NC(=O)c1csc(N)n1.
What is the InChIKey of 2-amino-N-(4-bromo-2,6-dimethylphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is IGHKJXNPJBIYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3OS/c1-6-3-8(13)4-7(2)10(6)16-11(17)9-5-18-12(14)15-9/h3-5H,1-2H3,(H2,14,15)(H,16,17).
What are the key properties of 2-amino-N-(4-bromo-2,6-dimethylphenyl)-1,3-thiazole-4-carboxamide?
2-amino-N-(4-bromo-2,6-dimethylphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 326.22 g/mol, XLogP of 3.36, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-bromo-2,6-dimethylphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 55116293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).