N-(2-amino-4,6-dibromophenyl)-4-ethylthiadiazole-5-carboxamide

C11H10Br2N4OS — CID 65206158

IUPACN-(2-amino-4,6-dibromophenyl)-4-ethylthiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)Nc1c(N)cc(Br)cc1Br
InChIInChI=1S/C11H10Br2N4OS/c1-2-8-10(19-17-16-8)11(18)15-9-6(13)3-5(12)4-7(9)14/h3-4H,2,14H2,1H3,(H,15,18)
InChIKeyBGKOLYHUTOCZFW-UHFFFAOYSA-N
MW406.10 g/mol
LogP3.46
Rot. Bonds3

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

N-(2-amino-4,6-dibromophenyl)-4-ethylthiadiazole-5-carboxamide (PubChem CID 65206158) has the molecular formula C11H10Br2N4OS and a molecular weight of 406.10 g/mol. Its IUPAC name is N-(2-amino-4,6-dibromophenyl)-4-ethylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-amino-4,6-dibromophenyl)-4-ethylthiadiazole-5-carboxamide
PubChem CID65206158
Molecular FormulaC11H10Br2N4OS
Molecular Weight406.10 g/mol
Exact Mass403.89
IUPAC NameN-(2-amino-4,6-dibromophenyl)-4-ethylthiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)Nc1c(N)cc(Br)cc1Br
InChIInChI=1S/C11H10Br2N4OS/c1-2-8-10(19-17-16-8)11(18)15-9-6(13)3-5(12)4-7(9)14/h3-4H,2,14H2,1H3,(H,15,18)
InChIKeyBGKOLYHUTOCZFW-UHFFFAOYSA-N
XLogP3.46
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.10
LogP ≤ 53.46
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-(3-amino-4-ethylphenyl)-4-ethylthiadiazole-5-carboxamide
CID 65205872
N-(2-bromo-4-sulfamoylphenyl)-4-ethylthiadiazole-5-carboxamide
CID 65210041
N-(2-amino-5-methoxyphenyl)-4-ethylthiadiazole-5-carboxamide
CID 65210588
N-(2-bromo-6-chloro-4-fluorophenyl)-4-propylthiadiazole-5-carboxamide
CID 107612541
N-(3-amino-4-methoxyphenyl)-4-ethylthiadiazole-5-carboxamide
CID 65210172
N-(2-amino-4,6-dibromophenyl)-1,3-diethylpyrazole-5-carboxamide
CID 66122727
N-(5-amino-3-methyl-2-pyridinyl)-4-ethylthiadiazole-5-carboxamide
CID 112555384
N-(6-amino-3-pyridinyl)-4-ethylthiadiazole-5-carboxamide
CID 65210585
N-(2-amino-4,6-dibromophenyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 65199792
N-(3-acetamidophenyl)-4-ethylthiadiazole-5-carboxamide
CID 46522307
N-(4-amino-3-methylphenyl)-4-propylthiadiazole-5-carboxamide
CID 65206399

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4,6-dibromophenyl)-4-ethylthiadiazole-5-carboxamide?
The IUPAC name of N-(2-amino-4,6-dibromophenyl)-4-ethylthiadiazole-5-carboxamide (CID 65206158) is N-(2-amino-4,6-dibromophenyl)-4-ethylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(2-amino-4,6-dibromophenyl)-4-ethylthiadiazole-5-carboxamide?
The canonical SMILES for N-(2-amino-4,6-dibromophenyl)-4-ethylthiadiazole-5-carboxamide is CCc1nnsc1C(=O)Nc1c(N)cc(Br)cc1Br.
What is the InChIKey of N-(2-amino-4,6-dibromophenyl)-4-ethylthiadiazole-5-carboxamide?
The InChIKey is BGKOLYHUTOCZFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Br2N4OS/c1-2-8-10(19-17-16-8)11(18)15-9-6(13)3-5(12)4-7(9)14/h3-4H,2,14H2,1H3,(H,15,18).
What are the key properties of N-(2-amino-4,6-dibromophenyl)-4-ethylthiadiazole-5-carboxamide?
N-(2-amino-4,6-dibromophenyl)-4-ethylthiadiazole-5-carboxamide has a molecular weight of 406.10 g/mol, XLogP of 3.46, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4,6-dibromophenyl)-4-ethylthiadiazole-5-carboxamide is sourced from PubChem (CID 65206158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).