N-(6-amino-2,3-dimethylphenyl)-4-methylthiadiazole-5-carboxamide

C12H14N4OS — CID 65199593

IUPACN-(6-amino-2,3-dimethylphenyl)-4-methylthiadiazole-5-carboxamide
SMILESCc1ccc(N)c(NC(=O)c2snnc2C)c1C
InChIInChI=1S/C12H14N4OS/c1-6-4-5-9(13)10(7(6)2)14-12(17)11-8(3)15-16-18-11/h4-5H,13H2,1-3H3,(H,14,17)
InChIKeyAALMEFMZKIYVLC-UHFFFAOYSA-N
MW262.34 g/mol
LogP2.30
Rot. Bonds2

About N-(6-amino-2,3-dimethylphenyl)-4-methylthiadiazole-5-carboxamide

N-(6-amino-2,3-dimethylphenyl)-4-methylthiadiazole-5-carboxamide (PubChem CID 65199593) has the molecular formula C12H14N4OS and a molecular weight of 262.34 g/mol. Its IUPAC name is N-(6-amino-2,3-dimethylphenyl)-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(6-amino-2,3-dimethylphenyl)-4-methylthiadiazole-5-carboxamide
PubChem CID65199593
Molecular FormulaC12H14N4OS
Molecular Weight262.34 g/mol
Exact Mass262.09
IUPAC NameN-(6-amino-2,3-dimethylphenyl)-4-methylthiadiazole-5-carboxamide
SMILESCc1ccc(N)c(NC(=O)c2snnc2C)c1C
InChIInChI=1S/C12H14N4OS/c1-6-4-5-9(13)10(7(6)2)14-12(17)11-8(3)15-16-18-11/h4-5H,13H2,1-3H3,(H,14,17)
InChIKeyAALMEFMZKIYVLC-UHFFFAOYSA-N
XLogP2.30
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 52.30
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-(2-amino-6-methylphenyl)-4-methylthiadiazole-5-carboxamide
CID 65200034
N-(6-amino-2,3-dimethylphenyl)-4-propylthiadiazole-5-carboxamide
CID 65206061
N-(4-amino-3-bromophenyl)-4-methylthiadiazole-5-carboxamide
CID 82862458
N-(4-amino-2,5-dimethylphenyl)-4-methylthiadiazole-5-carboxamide
CID 103144442
N-(3-hydroxy-4-methylphenyl)-4-methylthiadiazole-5-carboxamide
CID 64792721
N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-4-methylthiadiazole-5-carboxamide
CID 43989134
N-(2-amino-6-methylphenyl)-4-ethylthiadiazole-5-carboxamide
CID 65206156
N-(6-amino-2,3-dimethylphenyl)-4-bromobenzamide
CID 43548126
N-(6-amino-2,3-dimethylphenyl)-5-bromothiophene-2-carboxamide
CID 43548068
N-(6-amino-2,3-dimethylphenyl)-6-methylpyridine-3-carboxamide
CID 43548085
N-(6-amino-2,3-dimethylphenyl)-2,6-difluoro-3-methylbenzamide
CID 82797496
ethyl 3-methyl-5-[(4-methylthiadiazole-5-carbonyl)amino]thiophene-2-carboxylate
CID 43406418

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-2,3-dimethylphenyl)-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-(6-amino-2,3-dimethylphenyl)-4-methylthiadiazole-5-carboxamide (CID 65199593) is N-(6-amino-2,3-dimethylphenyl)-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(6-amino-2,3-dimethylphenyl)-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-(6-amino-2,3-dimethylphenyl)-4-methylthiadiazole-5-carboxamide is Cc1ccc(N)c(NC(=O)c2snnc2C)c1C.
What is the InChIKey of N-(6-amino-2,3-dimethylphenyl)-4-methylthiadiazole-5-carboxamide?
The InChIKey is AALMEFMZKIYVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4OS/c1-6-4-5-9(13)10(7(6)2)14-12(17)11-8(3)15-16-18-11/h4-5H,13H2,1-3H3,(H,14,17).
What are the key properties of N-(6-amino-2,3-dimethylphenyl)-4-methylthiadiazole-5-carboxamide?
N-(6-amino-2,3-dimethylphenyl)-4-methylthiadiazole-5-carboxamide has a molecular weight of 262.34 g/mol, XLogP of 2.30, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-2,3-dimethylphenyl)-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 65199593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).