N-(4-amino-3-bromophenyl)-4-methylthiadiazole-5-carboxamide

C10H9BrN4OS — CID 82862458

IUPACN-(4-amino-3-bromophenyl)-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)Nc1ccc(N)c(Br)c1
InChIInChI=1S/C10H9BrN4OS/c1-5-9(17-15-14-5)10(16)13-6-2-3-8(12)7(11)4-6/h2-4H,12H2,1H3,(H,13,16)
InChIKeyVGTBCDBOBLXPLZ-UHFFFAOYSA-N
MW313.18 g/mol
LogP2.44
Rot. Bonds2

About N-(4-amino-3-bromophenyl)-4-methylthiadiazole-5-carboxamide

N-(4-amino-3-bromophenyl)-4-methylthiadiazole-5-carboxamide (PubChem CID 82862458) has the molecular formula C10H9BrN4OS and a molecular weight of 313.18 g/mol. Its IUPAC name is N-(4-amino-3-bromophenyl)-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-amino-3-bromophenyl)-4-methylthiadiazole-5-carboxamide
PubChem CID82862458
Molecular FormulaC10H9BrN4OS
Molecular Weight313.18 g/mol
Exact Mass311.97
IUPAC NameN-(4-amino-3-bromophenyl)-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)Nc1ccc(N)c(Br)c1
InChIInChI=1S/C10H9BrN4OS/c1-5-9(17-15-14-5)10(16)13-6-2-3-8(12)7(11)4-6/h2-4H,12H2,1H3,(H,13,16)
InChIKeyVGTBCDBOBLXPLZ-UHFFFAOYSA-N
XLogP2.44
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.18
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-hydroxy-4-methylphenyl)-4-methylthiadiazole-5-carboxamide
CID 64792721
N-(3,4-dichlorophenyl)-4-methylthiadiazole-5-carboxamide
CID 7293435
N-(2,1,3-benzothiadiazol-5-yl)-4-methylthiadiazole-5-carboxamide
CID 20897506
N-(4-amino-3-methylphenyl)-4-propylthiadiazole-5-carboxamide
CID 65206399
N-(4-amino-2,5-dimethylphenyl)-4-methylthiadiazole-5-carboxamide
CID 103144442
N-(2,3-dihydro-1H-inden-5-yl)-4-methylthiadiazole-5-carboxamide
CID 9087191
N-[4-(aminomethyl)-3-chlorophenyl]-4-methylthiadiazole-5-carboxamide
CID 174391939
N-(6-amino-2,3-dimethylphenyl)-4-methylthiadiazole-5-carboxamide
CID 65199593
N-(4-amino-3-bromophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 82861939
2-fluoro-5-[(4-methylthiadiazole-5-carbonyl)amino]benzoic acid
CID 54926713
N-(2-bromo-5-fluorophenyl)-4-methylthiadiazole-5-carboxamide
CID 103579445
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methylthiadiazole-5-carboxamide
CID 7576779

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3-bromophenyl)-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-(4-amino-3-bromophenyl)-4-methylthiadiazole-5-carboxamide (CID 82862458) is N-(4-amino-3-bromophenyl)-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(4-amino-3-bromophenyl)-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-(4-amino-3-bromophenyl)-4-methylthiadiazole-5-carboxamide is Cc1nnsc1C(=O)Nc1ccc(N)c(Br)c1.
What is the InChIKey of N-(4-amino-3-bromophenyl)-4-methylthiadiazole-5-carboxamide?
The InChIKey is VGTBCDBOBLXPLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN4OS/c1-5-9(17-15-14-5)10(16)13-6-2-3-8(12)7(11)4-6/h2-4H,12H2,1H3,(H,13,16).
What are the key properties of N-(4-amino-3-bromophenyl)-4-methylthiadiazole-5-carboxamide?
N-(4-amino-3-bromophenyl)-4-methylthiadiazole-5-carboxamide has a molecular weight of 313.18 g/mol, XLogP of 2.44, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-3-bromophenyl)-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 82862458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).