N-[(4-aminophenyl)methyl]-N-methylthiadiazole-5-carboxamide

C11H12N4OS — CID 65216471

IUPACN-[(4-aminophenyl)methyl]-N-methylthiadiazole-5-carboxamide
SMILESCN(Cc1ccc(N)cc1)C(=O)c1cnns1
InChIInChI=1S/C11H12N4OS/c1-15(11(16)10-6-13-14-17-10)7-8-2-4-9(12)5-3-8/h2-6H,7,12H2,1H3
InChIKeyBGECATAJDOILBJ-UHFFFAOYSA-N
MW248.31 g/mol
LogP1.39
Rot. Bonds3

About N-[(4-aminophenyl)methyl]-N-methylthiadiazole-5-carboxamide

N-[(4-aminophenyl)methyl]-N-methylthiadiazole-5-carboxamide (PubChem CID 65216471) has the molecular formula C11H12N4OS and a molecular weight of 248.31 g/mol. Its IUPAC name is N-[(4-aminophenyl)methyl]-N-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(4-aminophenyl)methyl]-N-methylthiadiazole-5-carboxamide
PubChem CID65216471
Molecular FormulaC11H12N4OS
Molecular Weight248.31 g/mol
Exact Mass248.07
IUPAC NameN-[(4-aminophenyl)methyl]-N-methylthiadiazole-5-carboxamide
SMILESCN(Cc1ccc(N)cc1)C(=O)c1cnns1
InChIInChI=1S/C11H12N4OS/c1-15(11(16)10-6-13-14-17-10)7-8-2-4-9(12)5-3-8/h2-6H,7,12H2,1H3
InChIKeyBGECATAJDOILBJ-UHFFFAOYSA-N
XLogP1.39
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[(4-aminophenyl)methyl]-N-cyclopropylthiadiazole-5-carboxamide
CID 65215762
5-amino-N-[(4-ethylphenyl)methyl]-N-methylpyridine-2-carboxamide
CID 81317186
N-[(4-aminophenyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 55144453
N-[(3-aminophenyl)methyl]-N-cyclopropylthiadiazole-5-carboxamide
CID 65215763
4-[[(4-aminobenzoyl)-methylamino]methyl]benzamide
CID 60940099
N-[(4-aminophenyl)methyl]-3,4,5-trifluoro-N-methylbenzamide
CID 63183664
5-amino-N-[(4-fluorophenyl)methyl]-N-methylpyridine-2-carboxamide
CID 81316642
N-[(4-aminophenyl)methyl]-4-fluoro-N-methylbenzamide
CID 43458159
N-[(4-aminophenyl)methyl]-N,2,5-trimethylbenzamide
CID 43458074
5-amino-N-[(4-carbamoylphenyl)methyl]-N-methylpyridine-2-carboxamide
CID 81310441
N-[(4-aminophenyl)methyl]-3-bromo-N-methylbenzamide
CID 43458071
1-[(4-aminophenyl)methyl]-3-ethyl-1,3-dimethylurea
CID 79159501

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminophenyl)methyl]-N-methylthiadiazole-5-carboxamide?
The IUPAC name of N-[(4-aminophenyl)methyl]-N-methylthiadiazole-5-carboxamide (CID 65216471) is N-[(4-aminophenyl)methyl]-N-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[(4-aminophenyl)methyl]-N-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-[(4-aminophenyl)methyl]-N-methylthiadiazole-5-carboxamide is CN(Cc1ccc(N)cc1)C(=O)c1cnns1.
What is the InChIKey of N-[(4-aminophenyl)methyl]-N-methylthiadiazole-5-carboxamide?
The InChIKey is BGECATAJDOILBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4OS/c1-15(11(16)10-6-13-14-17-10)7-8-2-4-9(12)5-3-8/h2-6H,7,12H2,1H3.
What are the key properties of N-[(4-aminophenyl)methyl]-N-methylthiadiazole-5-carboxamide?
N-[(4-aminophenyl)methyl]-N-methylthiadiazole-5-carboxamide has a molecular weight of 248.31 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminophenyl)methyl]-N-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 65216471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).