2-bromo-N-diaminophosphorylthiophene-3-carboxamide

C5H7BrN3O2PS — CID 18938017

IUPAC2-bromo-N-diaminophosphorylthiophene-3-carboxamide
SMILESNP(N)(=O)NC(=O)c1ccsc1Br
InChIInChI=1S/C5H7BrN3O2PS/c6-4-3(1-2-13-4)5(10)9-12(7,8)11/h1-2H,(H5,7,8,9,10,11)
InChIKeyORPUYXZOYWWPKT-UHFFFAOYSA-N
MW284.07 g/mol
LogP1.27
Rot. Bonds2

About 2-bromo-N-diaminophosphorylthiophene-3-carboxamide

2-bromo-N-diaminophosphorylthiophene-3-carboxamide (PubChem CID 18938017) has the molecular formula C5H7BrN3O2PS and a molecular weight of 284.07 g/mol. Its IUPAC name is 2-bromo-N-diaminophosphorylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-diaminophosphorylthiophene-3-carboxamide
PubChem CID18938017
Molecular FormulaC5H7BrN3O2PS
Molecular Weight284.07 g/mol
Exact Mass282.92
IUPAC Name2-bromo-N-diaminophosphorylthiophene-3-carboxamide
SMILESNP(N)(=O)NC(=O)c1ccsc1Br
InChIInChI=1S/C5H7BrN3O2PS/c6-4-3(1-2-13-4)5(10)9-12(7,8)11/h1-2H,(H5,7,8,9,10,11)
InChIKeyORPUYXZOYWWPKT-UHFFFAOYSA-N
XLogP1.27
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.07
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-diaminophosphorylthiophene-3-carboxamide?
The IUPAC name of 2-bromo-N-diaminophosphorylthiophene-3-carboxamide (CID 18938017) is 2-bromo-N-diaminophosphorylthiophene-3-carboxamide.
What is the SMILES notation for 2-bromo-N-diaminophosphorylthiophene-3-carboxamide?
The canonical SMILES for 2-bromo-N-diaminophosphorylthiophene-3-carboxamide is NP(N)(=O)NC(=O)c1ccsc1Br.
What is the InChIKey of 2-bromo-N-diaminophosphorylthiophene-3-carboxamide?
The InChIKey is ORPUYXZOYWWPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7BrN3O2PS/c6-4-3(1-2-13-4)5(10)9-12(7,8)11/h1-2H,(H5,7,8,9,10,11).
What are the key properties of 2-bromo-N-diaminophosphorylthiophene-3-carboxamide?
2-bromo-N-diaminophosphorylthiophene-3-carboxamide has a molecular weight of 284.07 g/mol, XLogP of 1.27, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-diaminophosphorylthiophene-3-carboxamide is sourced from PubChem (CID 18938017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).