N-(2-aminophenyl)-5-bromo-4-methylthiophene-2-carboxamide

C12H11BrN2OS — CID 79976427

IUPACN-(2-aminophenyl)-5-bromo-4-methylthiophene-2-carboxamide
SMILESCc1cc(C(=O)Nc2ccccc2N)sc1Br
InChIInChI=1S/C12H11BrN2OS/c1-7-6-10(17-11(7)13)12(16)15-9-5-3-2-4-8(9)14/h2-6H,14H2,1H3,(H,15,16)
InChIKeyRCRIDSVBMGMLOM-UHFFFAOYSA-N
MW311.20 g/mol
LogP3.65
Rot. Bonds2

About N-(2-aminophenyl)-5-bromo-4-methylthiophene-2-carboxamide

N-(2-aminophenyl)-5-bromo-4-methylthiophene-2-carboxamide (PubChem CID 79976427) has the molecular formula C12H11BrN2OS and a molecular weight of 311.20 g/mol. Its IUPAC name is N-(2-aminophenyl)-5-bromo-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-5-bromo-4-methylthiophene-2-carboxamide
PubChem CID79976427
Molecular FormulaC12H11BrN2OS
Molecular Weight311.20 g/mol
Exact Mass309.98
IUPAC NameN-(2-aminophenyl)-5-bromo-4-methylthiophene-2-carboxamide
SMILESCc1cc(C(=O)Nc2ccccc2N)sc1Br
InChIInChI=1S/C12H11BrN2OS/c1-7-6-10(17-11(7)13)12(16)15-9-5-3-2-4-8(9)14/h2-6H,14H2,1H3,(H,15,16)
InChIKeyRCRIDSVBMGMLOM-UHFFFAOYSA-N
XLogP3.65
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.20
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-[(5-bromo-4-methylthiophene-2-carbonyl)amino]benzoic acid
CID 79981305
5-bromo-N-(3-hydroxy-2-methylphenyl)-4-methylthiophene-2-carboxamide
CID 79990193
N-[2-amino-4-(trifluoromethyl)phenyl]-5-bromo-4-methylthiophene-2-carboxamide
CID 79975104
5-bromo-4-methyl-N-[2-(methylsulfamoyl)phenyl]thiophene-2-carboxamide
CID 79998270
5-bromo-N-[2-[(Z)-N'-hydroxycarbamimidoyl]-3-methylphenyl]-4-methylthiophene-2-carboxamide
CID 107800842
N-(4-amino-3-bromophenyl)-5-bromo-4-methylthiophene-2-carboxamide
CID 82862298
N-[1-(2-aminophenyl)ethyl]-5-bromo-4-methylthiophene-2-carboxamide
CID 79976141
(2-aminophenyl)-(5-bromo-4-methylthiophen-2-yl)methanone
CID 79991172
5-amino-2-[(5-bromo-4-methylthiophene-2-carbonyl)amino]benzoic acid
CID 79981158
2-[2-[(5-bromo-4-methylthiophene-2-carbonyl)amino]phenoxy]acetic acid
CID 79975729
5-bromo-N-(2-cyano-3-fluorophenyl)-4-methylthiophene-2-carboxamide
CID 79925633
5-bromo-N-(2,5-difluoro-4-methylphenyl)-4-methylthiophene-2-carboxamide
CID 103586267

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-5-bromo-4-methylthiophene-2-carboxamide?
The IUPAC name of N-(2-aminophenyl)-5-bromo-4-methylthiophene-2-carboxamide (CID 79976427) is N-(2-aminophenyl)-5-bromo-4-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(2-aminophenyl)-5-bromo-4-methylthiophene-2-carboxamide?
The canonical SMILES for N-(2-aminophenyl)-5-bromo-4-methylthiophene-2-carboxamide is Cc1cc(C(=O)Nc2ccccc2N)sc1Br.
What is the InChIKey of N-(2-aminophenyl)-5-bromo-4-methylthiophene-2-carboxamide?
The InChIKey is RCRIDSVBMGMLOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2OS/c1-7-6-10(17-11(7)13)12(16)15-9-5-3-2-4-8(9)14/h2-6H,14H2,1H3,(H,15,16).
What are the key properties of N-(2-aminophenyl)-5-bromo-4-methylthiophene-2-carboxamide?
N-(2-aminophenyl)-5-bromo-4-methylthiophene-2-carboxamide has a molecular weight of 311.20 g/mol, XLogP of 3.65, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-5-bromo-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 79976427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).