N-(2-amino-4,6-dibromophenyl)-2-methyl-1,3-thiazole-4-carboxamide

C11H9Br2N3OS — CID 65199792

IUPACN-(2-amino-4,6-dibromophenyl)-2-methyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2c(N)cc(Br)cc2Br)cs1
InChIInChI=1S/C11H9Br2N3OS/c1-5-15-9(4-18-5)11(17)16-10-7(13)2-6(12)3-8(10)14/h2-4H,14H2,1H3,(H,16,17)
InChIKeyCMSGVLOFAQMCLM-UHFFFAOYSA-N
MW391.09 g/mol
LogP3.81
Rot. Bonds2

About N-(2-amino-4,6-dibromophenyl)-2-methyl-1,3-thiazole-4-carboxamide

N-(2-amino-4,6-dibromophenyl)-2-methyl-1,3-thiazole-4-carboxamide (PubChem CID 65199792) has the molecular formula C11H9Br2N3OS and a molecular weight of 391.09 g/mol. Its IUPAC name is N-(2-amino-4,6-dibromophenyl)-2-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-amino-4,6-dibromophenyl)-2-methyl-1,3-thiazole-4-carboxamide
PubChem CID65199792
Molecular FormulaC11H9Br2N3OS
Molecular Weight391.09 g/mol
Exact Mass388.88
IUPAC NameN-(2-amino-4,6-dibromophenyl)-2-methyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2c(N)cc(Br)cc2Br)cs1
InChIInChI=1S/C11H9Br2N3OS/c1-5-15-9(4-18-5)11(17)16-10-7(13)2-6(12)3-8(10)14/h2-4H,14H2,1H3,(H,16,17)
InChIKeyCMSGVLOFAQMCLM-UHFFFAOYSA-N
XLogP3.81
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.09
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-(2-amino-4,6-dibromophenyl)-2-methyl-1,3-thiazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-(2,4,6-tribromophenyl)-1,3-thiazole-4-carboxamide
CID 62786642
2-amino-N-(4-bromo-2,6-dimethylphenyl)-1,3-thiazole-4-carboxamide
CID 55116293
2-(1-aminoethyl)-N-(2,4,6-tribromophenyl)-1,3-thiazole-4-carboxamide
CID 66374781
N-(4-amino-2-bromophenyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 65199281
N-(2,6-dimethyl-4-sulfamoylphenyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 65198450
2-amino-N-(2,6-dibromo-4-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 114209117
2-amino-N-(4-bromo-2,6-dichlorophenyl)-1,3-thiazole-4-carboxamide
CID 55116387
N-(2-amino-4,6-dibromophenyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 66158095
N-(3-amino-4-methylphenyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 65199836
N-(5-bromo-4-methyl-2-pyridinyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 79729954
N-(2-amino-4,6-dibromophenyl)-4-hydroxy-2-methylbenzamide
CID 107670590
N-(4-amino-3-chlorophenyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 82861418

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4,6-dibromophenyl)-2-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2-amino-4,6-dibromophenyl)-2-methyl-1,3-thiazole-4-carboxamide (CID 65199792) is N-(2-amino-4,6-dibromophenyl)-2-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2-amino-4,6-dibromophenyl)-2-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2-amino-4,6-dibromophenyl)-2-methyl-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)Nc2c(N)cc(Br)cc2Br)cs1.
What is the InChIKey of N-(2-amino-4,6-dibromophenyl)-2-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is CMSGVLOFAQMCLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Br2N3OS/c1-5-15-9(4-18-5)11(17)16-10-7(13)2-6(12)3-8(10)14/h2-4H,14H2,1H3,(H,16,17).
What are the key properties of N-(2-amino-4,6-dibromophenyl)-2-methyl-1,3-thiazole-4-carboxamide?
N-(2-amino-4,6-dibromophenyl)-2-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 391.09 g/mol, XLogP of 3.81, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4,6-dibromophenyl)-2-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 65199792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).