N-(2-amino-6-bromo-4-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide

C12H12BrN3OS — CID 116813681

IUPACN-(2-amino-6-bromo-4-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1cc(N)c(NC(=O)c2scnc2C)c(Br)c1
InChIInChI=1S/C12H12BrN3OS/c1-6-3-8(13)10(9(14)4-6)16-12(17)11-7(2)15-5-18-11/h3-5H,14H2,1-2H3,(H,16,17)
InChIKeyCZMRWZHHSNFJNH-UHFFFAOYSA-N
MW326.22 g/mol
LogP3.36
Rot. Bonds2

About N-(2-amino-6-bromo-4-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide

N-(2-amino-6-bromo-4-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 116813681) has the molecular formula C12H12BrN3OS and a molecular weight of 326.22 g/mol. Its IUPAC name is N-(2-amino-6-bromo-4-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-amino-6-bromo-4-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID116813681
Molecular FormulaC12H12BrN3OS
Molecular Weight326.22 g/mol
Exact Mass324.99
IUPAC NameN-(2-amino-6-bromo-4-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1cc(N)c(NC(=O)c2scnc2C)c(Br)c1
InChIInChI=1S/C12H12BrN3OS/c1-6-3-8(13)10(9(14)4-6)16-12(17)11-7(2)15-5-18-11/h3-5H,14H2,1-2H3,(H,16,17)
InChIKeyCZMRWZHHSNFJNH-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

Computed Properties (RDKit)

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

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Related Compounds

N-(5-amino-2-bromo-4-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 113456224
N-(2-amino-6-bromo-4-methylphenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 116813489
N-(2-amino-6-bromo-4-methylphenyl)-5-methylpyridine-3-carboxamide
CID 116813683
N-(2-amino-6-bromo-4-methylphenyl)-5-fluoropyridine-2-carboxamide
CID 116813696
N-(5-bromo-6-chloro-3-pyridinyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 103816486
N-(2-amino-6-bromo-4-methylphenyl)-3-methylfuran-2-carboxamide
CID 116813642
N-(2-amino-6-bromo-4-methylphenyl)-1H-pyrazole-4-carboxamide
CID 116813556
N-(2-amino-6-bromo-4-methylphenyl)-2,4,6-trifluorobenzamide
CID 116813509
N-(3-amino-4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 18072743
N-(2-bromo-4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 28938704
4-methyl-N-(4-methyl-2-pyridinyl)-1,3-thiazole-5-carboxamide
CID 47265636
N-(2-amino-6-bromo-4-methylphenyl)-3-hydroxy-2-methylbenzamide
CID 116813418

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-6-bromo-4-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(2-amino-6-bromo-4-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide (CID 116813681) is N-(2-amino-6-bromo-4-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(2-amino-6-bromo-4-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(2-amino-6-bromo-4-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide is Cc1cc(N)c(NC(=O)c2scnc2C)c(Br)c1.
What is the InChIKey of N-(2-amino-6-bromo-4-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is CZMRWZHHSNFJNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3OS/c1-6-3-8(13)10(9(14)4-6)16-12(17)11-7(2)15-5-18-11/h3-5H,14H2,1-2H3,(H,16,17).
What are the key properties of N-(2-amino-6-bromo-4-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
N-(2-amino-6-bromo-4-methylphenyl)-4-methyl-1,3-thiazole-5-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 N-(2-amino-6-bromo-4-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116813681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).