N-(3-amino-4-ethylphenyl)-4-ethylthiadiazole-5-carboxamide

C13H16N4OS — CID 65205872

IUPACN-(3-amino-4-ethylphenyl)-4-ethylthiadiazole-5-carboxamide
SMILESCCc1ccc(NC(=O)c2snnc2CC)cc1N
InChIInChI=1S/C13H16N4OS/c1-3-8-5-6-9(7-10(8)14)15-13(18)12-11(4-2)16-17-19-12/h5-7H,3-4,14H2,1-2H3,(H,15,18)
InChIKeyBRMOIFJUNVVJRC-UHFFFAOYSA-N
MW276.37 g/mol
LogP2.50
Rot. Bonds4

About N-(3-amino-4-ethylphenyl)-4-ethylthiadiazole-5-carboxamide

N-(3-amino-4-ethylphenyl)-4-ethylthiadiazole-5-carboxamide (PubChem CID 65205872) has the molecular formula C13H16N4OS and a molecular weight of 276.37 g/mol. Its IUPAC name is N-(3-amino-4-ethylphenyl)-4-ethylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-amino-4-ethylphenyl)-4-ethylthiadiazole-5-carboxamide
PubChem CID65205872
Molecular FormulaC13H16N4OS
Molecular Weight276.37 g/mol
Exact Mass276.10
IUPAC NameN-(3-amino-4-ethylphenyl)-4-ethylthiadiazole-5-carboxamide
SMILESCCc1ccc(NC(=O)c2snnc2CC)cc1N
InChIInChI=1S/C13H16N4OS/c1-3-8-5-6-9(7-10(8)14)15-13(18)12-11(4-2)16-17-19-12/h5-7H,3-4,14H2,1-2H3,(H,15,18)
InChIKeyBRMOIFJUNVVJRC-UHFFFAOYSA-N
XLogP2.50
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 52.50
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-4-methoxyphenyl)-4-ethylthiadiazole-5-carboxamide
CID 65210172
N-(6-amino-3-pyridinyl)-4-ethylthiadiazole-5-carboxamide
CID 65210585
N-(1,2-benzothiazol-5-yl)-4-ethylthiadiazole-5-carboxamide
CID 99825241
N-(3-acetamidophenyl)-4-ethylthiadiazole-5-carboxamide
CID 46522307
N-(4-amino-3-methylphenyl)-4-propylthiadiazole-5-carboxamide
CID 65206399
4-ethyl-N-(3-ethylphenyl)thiadiazole-5-carboxamide
CID 9192445
4-ethyl-N-(3-methyl-4-sulfamoylphenyl)thiadiazole-5-carboxamide
CID 65209990
4-ethyl-N-[3-(hydroxymethyl)phenyl]thiadiazole-5-carboxamide
CID 60693400
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethylthiadiazole-5-carboxamide
CID 46521837
4-ethyl-N-[4-(methylcarbamoyl)phenyl]thiadiazole-5-carboxamide
CID 30911801
4-ethyl-N-(3-sulfamoylphenyl)thiadiazole-5-carboxamide
CID 60692504
N-(4-butylphenyl)-4-ethylthiadiazole-5-carboxamide
CID 24513704

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-ethylphenyl)-4-ethylthiadiazole-5-carboxamide?
The IUPAC name of N-(3-amino-4-ethylphenyl)-4-ethylthiadiazole-5-carboxamide (CID 65205872) is N-(3-amino-4-ethylphenyl)-4-ethylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(3-amino-4-ethylphenyl)-4-ethylthiadiazole-5-carboxamide?
The canonical SMILES for N-(3-amino-4-ethylphenyl)-4-ethylthiadiazole-5-carboxamide is CCc1ccc(NC(=O)c2snnc2CC)cc1N.
What is the InChIKey of N-(3-amino-4-ethylphenyl)-4-ethylthiadiazole-5-carboxamide?
The InChIKey is BRMOIFJUNVVJRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c1-3-8-5-6-9(7-10(8)14)15-13(18)12-11(4-2)16-17-19-12/h5-7H,3-4,14H2,1-2H3,(H,15,18).
What are the key properties of N-(3-amino-4-ethylphenyl)-4-ethylthiadiazole-5-carboxamide?
N-(3-amino-4-ethylphenyl)-4-ethylthiadiazole-5-carboxamide has a molecular weight of 276.37 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-ethylphenyl)-4-ethylthiadiazole-5-carboxamide is sourced from PubChem (CID 65205872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).