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

C12H14N4OS — CID 65206156

IUPACN-(2-amino-6-methylphenyl)-4-ethylthiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)Nc1c(C)cccc1N
InChIInChI=1S/C12H14N4OS/c1-3-9-11(18-16-15-9)12(17)14-10-7(2)5-4-6-8(10)13/h4-6H,3,13H2,1-2H3,(H,14,17)
InChIKeyAGTLWEQWYGWDHY-UHFFFAOYSA-N
MW262.34 g/mol
LogP2.24
Rot. Bonds3

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

N-(2-amino-6-methylphenyl)-4-ethylthiadiazole-5-carboxamide (PubChem CID 65206156) has the molecular formula C12H14N4OS and a molecular weight of 262.34 g/mol. Its IUPAC name is N-(2-amino-6-methylphenyl)-4-ethylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-amino-6-methylphenyl)-4-ethylthiadiazole-5-carboxamide
PubChem CID65206156
Molecular FormulaC12H14N4OS
Molecular Weight262.34 g/mol
Exact Mass262.09
IUPAC NameN-(2-amino-6-methylphenyl)-4-ethylthiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)Nc1c(C)cccc1N
InChIInChI=1S/C12H14N4OS/c1-3-9-11(18-16-15-9)12(17)14-10-7(2)5-4-6-8(10)13/h4-6H,3,13H2,1-2H3,(H,14,17)
InChIKeyAGTLWEQWYGWDHY-UHFFFAOYSA-N
XLogP2.24
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 52.24
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-(3-amino-4-ethylphenyl)-4-ethylthiadiazole-5-carboxamide
CID 65205872
N-(2-amino-4,6-dibromophenyl)-4-ethylthiadiazole-5-carboxamide
CID 65206158
N-(2-carbamothioyl-6-methoxyphenyl)-4-ethylthiadiazole-5-carboxamide
CID 107468519
N-(3-acetamidophenyl)-4-ethylthiadiazole-5-carboxamide
CID 46522307
4-ethyl-N-(3-ethylphenyl)thiadiazole-5-carboxamide
CID 9192445
N-(5-amino-3-methyl-2-pyridinyl)-4-ethylthiadiazole-5-carboxamide
CID 112555384
4-ethyl-N-[3-(hydroxymethyl)phenyl]thiadiazole-5-carboxamide
CID 60693400
N-(6-amino-3-pyridinyl)-4-ethylthiadiazole-5-carboxamide
CID 65210585
N-(2-amino-5-methoxyphenyl)-4-ethylthiadiazole-5-carboxamide
CID 65210588
N-(4-amino-3-methylphenyl)-4-propylthiadiazole-5-carboxamide
CID 65206399

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-6-methylphenyl)-4-ethylthiadiazole-5-carboxamide?
The IUPAC name of N-(2-amino-6-methylphenyl)-4-ethylthiadiazole-5-carboxamide (CID 65206156) is N-(2-amino-6-methylphenyl)-4-ethylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(2-amino-6-methylphenyl)-4-ethylthiadiazole-5-carboxamide?
The canonical SMILES for N-(2-amino-6-methylphenyl)-4-ethylthiadiazole-5-carboxamide is CCc1nnsc1C(=O)Nc1c(C)cccc1N.
What is the InChIKey of N-(2-amino-6-methylphenyl)-4-ethylthiadiazole-5-carboxamide?
The InChIKey is AGTLWEQWYGWDHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4OS/c1-3-9-11(18-16-15-9)12(17)14-10-7(2)5-4-6-8(10)13/h4-6H,3,13H2,1-2H3,(H,14,17).
What are the key properties of N-(2-amino-6-methylphenyl)-4-ethylthiadiazole-5-carboxamide?
N-(2-amino-6-methylphenyl)-4-ethylthiadiazole-5-carboxamide has a molecular weight of 262.34 g/mol, XLogP of 2.24, 3 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-ethylthiadiazole-5-carboxamide is sourced from PubChem (CID 65206156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).