N-(4-amino-2-methoxyphenyl)-4-ethylthiadiazole-5-carboxamide

C12H14N4O2S — CID 65206339

IUPACN-(4-amino-2-methoxyphenyl)-4-ethylthiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)Nc1ccc(N)cc1OC
InChIInChI=1S/C12H14N4O2S/c1-3-8-11(19-16-15-8)12(17)14-9-5-4-7(13)6-10(9)18-2/h4-6H,3,13H2,1-2H3,(H,14,17)
InChIKeyGXWWZYGZAJVNRI-UHFFFAOYSA-N
MW278.34 g/mol
LogP1.94
Rot. Bonds4

About N-(4-amino-2-methoxyphenyl)-4-ethylthiadiazole-5-carboxamide

N-(4-amino-2-methoxyphenyl)-4-ethylthiadiazole-5-carboxamide (PubChem CID 65206339) has the molecular formula C12H14N4O2S and a molecular weight of 278.34 g/mol. Its IUPAC name is N-(4-amino-2-methoxyphenyl)-4-ethylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-amino-2-methoxyphenyl)-4-ethylthiadiazole-5-carboxamide
PubChem CID65206339
Molecular FormulaC12H14N4O2S
Molecular Weight278.34 g/mol
Exact Mass278.08
IUPAC NameN-(4-amino-2-methoxyphenyl)-4-ethylthiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)Nc1ccc(N)cc1OC
InChIInChI=1S/C12H14N4O2S/c1-3-8-11(19-16-15-8)12(17)14-9-5-4-7(13)6-10(9)18-2/h4-6H,3,13H2,1-2H3,(H,14,17)
InChIKeyGXWWZYGZAJVNRI-UHFFFAOYSA-N
XLogP1.94
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-5-methoxyphenyl)-4-ethylthiadiazole-5-carboxamide
CID 65210588
N-(3-amino-4-methoxyphenyl)-4-ethylthiadiazole-5-carboxamide
CID 65210172
N-(2-chloro-4-iodophenyl)-4-ethylthiadiazole-5-carboxamide
CID 103614219
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-4-ethylthiadiazole-5-carboxamide
CID 9192852
N-(2-carbamothioyl-6-methoxyphenyl)-4-ethylthiadiazole-5-carboxamide
CID 107468519
N-[(3-amino-4-methoxyphenyl)methyl]-4-ethylthiadiazole-5-carboxamide
CID 65205969
N-(2-amino-5-methoxyphenyl)-4-propylthiadiazole-5-carboxamide
CID 65210587
N-(2-bromo-4-sulfamoylphenyl)-4-ethylthiadiazole-5-carboxamide
CID 65210041
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-ethylthiadiazole-5-carboxamide
CID 9404499
N-[(4-aminophenyl)methyl]-4-ethylthiadiazole-5-carboxamide
CID 65205922
N-(6-chloro-2-methyl-3-pyridinyl)-4-ethylthiadiazole-5-carboxamide
CID 107301174
N-(4-amino-2-methoxyphenyl)-5-ethylfuran-2-carboxamide
CID 79095434

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methoxyphenyl)-4-ethylthiadiazole-5-carboxamide?
The IUPAC name of N-(4-amino-2-methoxyphenyl)-4-ethylthiadiazole-5-carboxamide (CID 65206339) is N-(4-amino-2-methoxyphenyl)-4-ethylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(4-amino-2-methoxyphenyl)-4-ethylthiadiazole-5-carboxamide?
The canonical SMILES for N-(4-amino-2-methoxyphenyl)-4-ethylthiadiazole-5-carboxamide is CCc1nnsc1C(=O)Nc1ccc(N)cc1OC.
What is the InChIKey of N-(4-amino-2-methoxyphenyl)-4-ethylthiadiazole-5-carboxamide?
The InChIKey is GXWWZYGZAJVNRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2S/c1-3-8-11(19-16-15-8)12(17)14-9-5-4-7(13)6-10(9)18-2/h4-6H,3,13H2,1-2H3,(H,14,17).
What are the key properties of N-(4-amino-2-methoxyphenyl)-4-ethylthiadiazole-5-carboxamide?
N-(4-amino-2-methoxyphenyl)-4-ethylthiadiazole-5-carboxamide has a molecular weight of 278.34 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methoxyphenyl)-4-ethylthiadiazole-5-carboxamide is sourced from PubChem (CID 65206339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).