2-bromo-5-chloro-N-diaminophosphorylthiophene-3-carboxamide

C5H6BrClN3O2PS — CID 57189191

IUPAC2-bromo-5-chloro-N-diaminophosphorylthiophene-3-carboxamide
SMILESNP(N)(=O)NC(=O)c1cc(Cl)sc1Br
InChIInChI=1S/C5H6BrClN3O2PS/c6-4-2(1-3(7)14-4)5(11)10-13(8,9)12/h1H,(H5,8,9,10,11,12)
InChIKeyAYPNUFZBJUGYTP-UHFFFAOYSA-N
MW318.52 g/mol
LogP1.92
Rot. Bonds2

About 2-bromo-5-chloro-N-diaminophosphorylthiophene-3-carboxamide

2-bromo-5-chloro-N-diaminophosphorylthiophene-3-carboxamide (PubChem CID 57189191) has the molecular formula C5H6BrClN3O2PS and a molecular weight of 318.52 g/mol. Its IUPAC name is 2-bromo-5-chloro-N-diaminophosphorylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-bromo-5-chloro-N-diaminophosphorylthiophene-3-carboxamide
PubChem CID57189191
Molecular FormulaC5H6BrClN3O2PS
Molecular Weight318.52 g/mol
Exact Mass316.88
IUPAC Name2-bromo-5-chloro-N-diaminophosphorylthiophene-3-carboxamide
SMILESNP(N)(=O)NC(=O)c1cc(Cl)sc1Br
InChIInChI=1S/C5H6BrClN3O2PS/c6-4-2(1-3(7)14-4)5(11)10-13(8,9)12/h1H,(H5,8,9,10,11,12)
InChIKeyAYPNUFZBJUGYTP-UHFFFAOYSA-N
XLogP1.92
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.52
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,5-dichloro-N-diaminophosphorylthiophene-3-carboxamide
CID 18938013
2-bromo-N-diaminophosphorylthiophene-3-carboxamide
CID 18938017
5-chloro-N-diaminophosphorylthiophene-3-carboxamide
CID 18938022
5-bromo-N-diaminophosphorylthiophene-3-carboxamide
CID 18938046
2-chloro-N-diaminophosphorylthiophene-3-carboxamide
CID 18938069
5-bromo-2-chloro-N-diaminophosphorylthiophene-3-carboxamide
CID 18938075
5-Bromo-2-chlorothiophene-3-carboxamide
CID 18938094
2-Bromo-5-chlorothiophene-3-carboxamide
CID 90264681
5-Chloro-2-methylbromanuidylthiophene-3-carboxamide
CID 153247222

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-chloro-N-diaminophosphorylthiophene-3-carboxamide?
The IUPAC name of 2-bromo-5-chloro-N-diaminophosphorylthiophene-3-carboxamide (CID 57189191) is 2-bromo-5-chloro-N-diaminophosphorylthiophene-3-carboxamide.
What is the SMILES notation for 2-bromo-5-chloro-N-diaminophosphorylthiophene-3-carboxamide?
The canonical SMILES for 2-bromo-5-chloro-N-diaminophosphorylthiophene-3-carboxamide is NP(N)(=O)NC(=O)c1cc(Cl)sc1Br.
What is the InChIKey of 2-bromo-5-chloro-N-diaminophosphorylthiophene-3-carboxamide?
The InChIKey is AYPNUFZBJUGYTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6BrClN3O2PS/c6-4-2(1-3(7)14-4)5(11)10-13(8,9)12/h1H,(H5,8,9,10,11,12).
What are the key properties of 2-bromo-5-chloro-N-diaminophosphorylthiophene-3-carboxamide?
2-bromo-5-chloro-N-diaminophosphorylthiophene-3-carboxamide has a molecular weight of 318.52 g/mol, XLogP of 1.92, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-chloro-N-diaminophosphorylthiophene-3-carboxamide is sourced from PubChem (CID 57189191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).