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

C11H10BrN3OS — CID 104814470

IUPACN-(5-amino-2-bromo-4-methylphenyl)-1,3-thiazole-4-carboxamide
SMILESCc1cc(Br)c(NC(=O)c2cscn2)cc1N
InChIInChI=1S/C11H10BrN3OS/c1-6-2-7(12)9(3-8(6)13)15-11(16)10-4-17-5-14-10/h2-5H,13H2,1H3,(H,15,16)
InChIKeyBURBAFGCJKHZID-UHFFFAOYSA-N
MW312.19 g/mol
LogP3.05
Rot. Bonds2

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

N-(5-amino-2-bromo-4-methylphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 104814470) has the molecular formula C11H10BrN3OS and a molecular weight of 312.19 g/mol. Its IUPAC name is N-(5-amino-2-bromo-4-methylphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-amino-2-bromo-4-methylphenyl)-1,3-thiazole-4-carboxamide
PubChem CID104814470
Molecular FormulaC11H10BrN3OS
Molecular Weight312.19 g/mol
Exact Mass310.97
IUPAC NameN-(5-amino-2-bromo-4-methylphenyl)-1,3-thiazole-4-carboxamide
SMILESCc1cc(Br)c(NC(=O)c2cscn2)cc1N
InChIInChI=1S/C11H10BrN3OS/c1-6-2-7(12)9(3-8(6)13)15-11(16)10-4-17-5-14-10/h2-5H,13H2,1H3,(H,15,16)
InChIKeyBURBAFGCJKHZID-UHFFFAOYSA-N
XLogP3.05
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.19
LogP ≤ 53.05
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-4-bromophenyl)-1,3-thiazole-4-carboxamide
CID 63024055
N-(5-amino-2-bromo-4-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 113456224
N-(2-bromo-5-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 75425983
N-(2,5-difluoro-4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 103586232
N-(5-bromo-2,4-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 102848003
N-(4-chloro-2-methylphenyl)-1,3-thiazole-4-carboxamide
CID 62045477
N-(5-amino-3-methyl-2-pyridinyl)-1,3-thiazole-4-carboxamide
CID 112555353
N-(5-amino-2-bromo-4-methylphenyl)-2-chloro-5-hydroxybenzamide
CID 106500146
N-(5-amino-2-bromo-4-methylphenyl)pyridazine-4-carboxamide
CID 113456213
N-(5-amino-2-bromo-4-methylphenyl)-2,5-dibromothiophene-3-carboxamide
CID 107959542
N-(5-amino-2-bromo-4-methylphenyl)-3-bromo-4-chlorobenzamide
CID 107997661
N-(5-carbamoyl-3-fluoro-2-methylphenyl)-1,3-thiazole-4-carboxamide
CID 63047676

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-bromo-4-methylphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(5-amino-2-bromo-4-methylphenyl)-1,3-thiazole-4-carboxamide (CID 104814470) is N-(5-amino-2-bromo-4-methylphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(5-amino-2-bromo-4-methylphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(5-amino-2-bromo-4-methylphenyl)-1,3-thiazole-4-carboxamide is Cc1cc(Br)c(NC(=O)c2cscn2)cc1N.
What is the InChIKey of N-(5-amino-2-bromo-4-methylphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is BURBAFGCJKHZID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3OS/c1-6-2-7(12)9(3-8(6)13)15-11(16)10-4-17-5-14-10/h2-5H,13H2,1H3,(H,15,16).
What are the key properties of N-(5-amino-2-bromo-4-methylphenyl)-1,3-thiazole-4-carboxamide?
N-(5-amino-2-bromo-4-methylphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 312.19 g/mol, XLogP of 3.05, 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)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 104814470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).