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

C12H12BrN3OS — CID 113456224

IUPACN-(5-amino-2-bromo-4-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1cc(Br)c(NC(=O)c2scnc2C)cc1N
InChIInChI=1S/C12H12BrN3OS/c1-6-3-8(13)10(4-9(6)14)16-12(17)11-7(2)15-5-18-11/h3-5H,14H2,1-2H3,(H,16,17)
InChIKeyRTEPLHAEDPOTJB-UHFFFAOYSA-N
MW326.22 g/mol
LogP3.36
Rot. Bonds2

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

N-(5-amino-2-bromo-4-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 113456224) has the molecular formula C12H12BrN3OS and a molecular weight of 326.22 g/mol. Its IUPAC name is N-(5-amino-2-bromo-4-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(5-amino-2-bromo-4-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID113456224
Molecular FormulaC12H12BrN3OS
Molecular Weight326.22 g/mol
Exact Mass324.99
IUPAC NameN-(5-amino-2-bromo-4-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1cc(Br)c(NC(=O)c2scnc2C)cc1N
InChIInChI=1S/C12H12BrN3OS/c1-6-3-8(13)10(4-9(6)14)16-12(17)11-7(2)15-5-18-11/h3-5H,14H2,1-2H3,(H,16,17)
InChIKeyRTEPLHAEDPOTJB-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-(2-amino-6-bromo-4-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 116813681
N-(2-bromo-4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 28938704
N-(5-amino-2-bromo-4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 104814470
ethyl 3-bromo-4-[(4-methyl-1,3-thiazole-5-carbonyl)amino]benzoate
CID 43623847
N-(3-amino-4-pyridinyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 63062084
N-(5-amino-2-bromo-4-methylphenyl)-3-methoxythiophene-2-carboxamide
CID 104814524
N-(5-amino-2-bromo-4-methylphenyl)pyridazine-4-carboxamide
CID 113456213
N-(3-amino-4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 18072743
N-(5-amino-2-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 18071701
N-(5-chloro-2-hydroxy-3-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 56791819
N-(5-bromo-6-chloro-3-pyridinyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 103816486
N-(5-amino-2-bromo-4-methylphenyl)-2,5-dibromothiophene-3-carboxamide
CID 107959542

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-bromo-4-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(5-amino-2-bromo-4-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide (CID 113456224) is N-(5-amino-2-bromo-4-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(5-amino-2-bromo-4-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(5-amino-2-bromo-4-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide is Cc1cc(Br)c(NC(=O)c2scnc2C)cc1N.
What is the InChIKey of N-(5-amino-2-bromo-4-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is RTEPLHAEDPOTJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3OS/c1-6-3-8(13)10(4-9(6)14)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-(5-amino-2-bromo-4-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
N-(5-amino-2-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-(5-amino-2-bromo-4-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 113456224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).