[(4,5-dibromothiophene-2-carbonyl)amino]-trimethylazanium iodide

C8H11Br2IN2OS — CID 110191045

IUPAC[(4,5-dibromothiophene-2-carbonyl)amino]-trimethylazanium iodide
SMILESC[N+](C)(C)NC(=O)c1cc(Br)c(Br)s1.[I-]
InChIInChI=1S/C8H10Br2N2OS.HI/c1-12(2,3)11-8(13)6-4-5(9)7(10)14-6;/h4H,1-3H3;1H
InChIKeyQZGPAZNXVGJYHD-UHFFFAOYSA-N
MW469.97 g/mol
LogP-0.37
Rot. Bonds2

About [(4,5-dibromothiophene-2-carbonyl)amino]-trimethylazanium iodide

[(4,5-dibromothiophene-2-carbonyl)amino]-trimethylazanium iodide (PubChem CID 110191045) has the molecular formula C8H11Br2IN2OS and a molecular weight of 469.97 g/mol. Its IUPAC name is [(4,5-dibromothiophene-2-carbonyl)amino]-trimethylazanium iodide.

Molecular Properties

Compound Name[(4,5-dibromothiophene-2-carbonyl)amino]-trimethylazanium iodide
PubChem CID110191045
Molecular FormulaC8H11Br2IN2OS
Molecular Weight469.97 g/mol
Exact Mass467.80
IUPAC Name[(4,5-dibromothiophene-2-carbonyl)amino]-trimethylazanium iodide
SMILESC[N+](C)(C)NC(=O)c1cc(Br)c(Br)s1.[I-]
InChIInChI=1S/C8H10Br2N2OS.HI/c1-12(2,3)11-8(13)6-4-5(9)7(10)14-6;/h4H,1-3H3;1H
InChIKeyQZGPAZNXVGJYHD-UHFFFAOYSA-N
XLogP-0.37
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.97
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(4,5-dibromothiophene-2-carbonyl)amino]-trimethylazanium iodide?
The IUPAC name of [(4,5-dibromothiophene-2-carbonyl)amino]-trimethylazanium iodide (CID 110191045) is [(4,5-dibromothiophene-2-carbonyl)amino]-trimethylazanium iodide.
What is the SMILES notation for [(4,5-dibromothiophene-2-carbonyl)amino]-trimethylazanium iodide?
The canonical SMILES for [(4,5-dibromothiophene-2-carbonyl)amino]-trimethylazanium iodide is C[N+](C)(C)NC(=O)c1cc(Br)c(Br)s1.[I-].
What is the InChIKey of [(4,5-dibromothiophene-2-carbonyl)amino]-trimethylazanium iodide?
The InChIKey is QZGPAZNXVGJYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10Br2N2OS.HI/c1-12(2,3)11-8(13)6-4-5(9)7(10)14-6;/h4H,1-3H3;1H.
What are the key properties of [(4,5-dibromothiophene-2-carbonyl)amino]-trimethylazanium iodide?
[(4,5-dibromothiophene-2-carbonyl)amino]-trimethylazanium iodide has a molecular weight of 469.97 g/mol, XLogP of -0.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4,5-dibromothiophene-2-carbonyl)amino]-trimethylazanium iodide is sourced from PubChem (CID 110191045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).