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

C11H12N4OS — CID 65216363

IUPACN-(3-amino-2,6-dimethylphenyl)thiadiazole-5-carboxamide
SMILESCc1ccc(N)c(C)c1NC(=O)c1cnns1
InChIInChI=1S/C11H12N4OS/c1-6-3-4-8(12)7(2)10(6)14-11(16)9-5-13-15-17-9/h3-5H,12H2,1-2H3,(H,14,16)
InChIKeyNWZQVZGWPAKEQC-UHFFFAOYSA-N
MW248.31 g/mol
LogP1.99
Rot. Bonds2

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

N-(3-amino-2,6-dimethylphenyl)thiadiazole-5-carboxamide (PubChem CID 65216363) has the molecular formula C11H12N4OS and a molecular weight of 248.31 g/mol. Its IUPAC name is N-(3-amino-2,6-dimethylphenyl)thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2,6-dimethylphenyl)thiadiazole-5-carboxamide
PubChem CID65216363
Molecular FormulaC11H12N4OS
Molecular Weight248.31 g/mol
Exact Mass248.07
IUPAC NameN-(3-amino-2,6-dimethylphenyl)thiadiazole-5-carboxamide
SMILESCc1ccc(N)c(C)c1NC(=O)c1cnns1
InChIInChI=1S/C11H12N4OS/c1-6-3-4-8(12)7(2)10(6)14-11(16)9-5-13-15-17-9/h3-5H,12H2,1-2H3,(H,14,16)
InChIKeyNWZQVZGWPAKEQC-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-(3-amino-2,6-dimethylphenyl)pyridazine-4-carboxamide
CID 104669075
N-(3-amino-2,6-dimethylphenyl)-5-bromopyridine-2-carboxamide
CID 62958756
N-(3-amino-2,6-dimethylphenyl)-6-methylpyridine-3-carboxamide
CID 24705702
(3-amino-2,6-dimethylphenyl)urea
CID 19820899
N-(3-amino-2,6-dimethylphenyl)-3-methylthiophene-2-carboxamide
CID 24707080
N-(3-hydroxy-2-methylphenyl)thiadiazole-5-carboxamide
CID 65215255
N-(3-amino-2,6-dimethylphenyl)-2,4,6-trimethylbenzamide
CID 24707284
N-(3-amino-2,6-dimethylphenyl)-5-methylfuran-2-carboxamide
CID 28776911
N-(3-amino-2,6-dimethylphenyl)-2-hydroxybenzamide
CID 24708392
N-(4-methyl-3-sulfamoylphenyl)thiadiazole-5-carboxamide
CID 47332366
N-(3-amino-2,6-dimethylphenyl)-3-fluoropyridine-4-carboxamide
CID 64950848
methyl N-(3-amino-2,6-dimethylphenyl)carbamate
CID 19857501

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,6-dimethylphenyl)thiadiazole-5-carboxamide?
The IUPAC name of N-(3-amino-2,6-dimethylphenyl)thiadiazole-5-carboxamide (CID 65216363) is N-(3-amino-2,6-dimethylphenyl)thiadiazole-5-carboxamide.
What is the SMILES notation for N-(3-amino-2,6-dimethylphenyl)thiadiazole-5-carboxamide?
The canonical SMILES for N-(3-amino-2,6-dimethylphenyl)thiadiazole-5-carboxamide is Cc1ccc(N)c(C)c1NC(=O)c1cnns1.
What is the InChIKey of N-(3-amino-2,6-dimethylphenyl)thiadiazole-5-carboxamide?
The InChIKey is NWZQVZGWPAKEQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4OS/c1-6-3-4-8(12)7(2)10(6)14-11(16)9-5-13-15-17-9/h3-5H,12H2,1-2H3,(H,14,16).
What are the key properties of N-(3-amino-2,6-dimethylphenyl)thiadiazole-5-carboxamide?
N-(3-amino-2,6-dimethylphenyl)thiadiazole-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-(3-amino-2,6-dimethylphenyl)thiadiazole-5-carboxamide is sourced from PubChem (CID 65216363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).