N-(2-amino-6-methylphenyl)-4-methylthiadiazole-5-carboxamide

C11H12N4OS — CID 65200034

IUPACN-(2-amino-6-methylphenyl)-4-methylthiadiazole-5-carboxamide
SMILESCc1cccc(N)c1NC(=O)c1snnc1C
InChIInChI=1S/C11H12N4OS/c1-6-4-3-5-8(12)9(6)13-11(16)10-7(2)14-15-17-10/h3-5H,12H2,1-2H3,(H,13,16)
InChIKeyGKUZGPNHDFLARD-UHFFFAOYSA-N
MW248.31 g/mol
LogP1.99
Rot. Bonds2

About N-(2-amino-6-methylphenyl)-4-methylthiadiazole-5-carboxamide

N-(2-amino-6-methylphenyl)-4-methylthiadiazole-5-carboxamide (PubChem CID 65200034) has the molecular formula C11H12N4OS and a molecular weight of 248.31 g/mol. Its IUPAC name is N-(2-amino-6-methylphenyl)-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-amino-6-methylphenyl)-4-methylthiadiazole-5-carboxamide
PubChem CID65200034
Molecular FormulaC11H12N4OS
Molecular Weight248.31 g/mol
Exact Mass248.07
IUPAC NameN-(2-amino-6-methylphenyl)-4-methylthiadiazole-5-carboxamide
SMILESCc1cccc(N)c1NC(=O)c1snnc1C
InChIInChI=1S/C11H12N4OS/c1-6-4-3-5-8(12)9(6)13-11(16)10-7(2)14-15-17-10/h3-5H,12H2,1-2H3,(H,13,16)
InChIKeyGKUZGPNHDFLARD-UHFFFAOYSA-N
XLogP1.99
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 51.99
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-ethylthiadiazole-5-carboxamide
CID 65206156
N-(6-amino-2,3-dimethylphenyl)-4-methylthiadiazole-5-carboxamide
CID 65199593
N-(4-amino-2,5-dimethylphenyl)-4-methylthiadiazole-5-carboxamide
CID 103144442
N-(4-amino-3-bromophenyl)-4-methylthiadiazole-5-carboxamide
CID 82862458
N-(2-amino-6-methylphenyl)-4-methylthiophene-3-carboxamide
CID 79802397
ethane;N-[2-(hydroperoxymethyl)-3-methylphenyl]-4-methylthiadiazole-5-carboxamide
CID 90926144
4-(4-bromophenyl)-N-(2,6-dimethylphenyl)thiadiazole-5-carboxamide
CID 100750600
N-(3-hydroxy-4-methylphenyl)-4-methylthiadiazole-5-carboxamide
CID 64792721
N-(2-acetylphenyl)-4-methylthiadiazole-5-carboxamide
CID 7576719
N-(2-amino-6-methylphenyl)-6-methylpyridine-3-carboxamide
CID 43152306
N-(2-amino-6-methylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 3073016
N-(6-amino-2,3-dimethylphenyl)-4-propylthiadiazole-5-carboxamide
CID 65206061

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-6-methylphenyl)-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-(2-amino-6-methylphenyl)-4-methylthiadiazole-5-carboxamide (CID 65200034) is N-(2-amino-6-methylphenyl)-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(2-amino-6-methylphenyl)-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-(2-amino-6-methylphenyl)-4-methylthiadiazole-5-carboxamide is Cc1cccc(N)c1NC(=O)c1snnc1C.
What is the InChIKey of N-(2-amino-6-methylphenyl)-4-methylthiadiazole-5-carboxamide?
The InChIKey is GKUZGPNHDFLARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4OS/c1-6-4-3-5-8(12)9(6)13-11(16)10-7(2)14-15-17-10/h3-5H,12H2,1-2H3,(H,13,16).
What are the key properties of N-(2-amino-6-methylphenyl)-4-methylthiadiazole-5-carboxamide?
N-(2-amino-6-methylphenyl)-4-methylthiadiazole-5-carboxamide has a molecular weight of 248.31 g/mol, XLogP of 1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-6-methylphenyl)-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 65200034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).