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

C5H6BrClN3O2PS — CID 18938075

IUPAC5-bromo-2-chloro-N-diaminophosphorylthiophene-3-carboxamide
SMILESNP(N)(=O)NC(=O)c1cc(Br)sc1Cl
InChIInChI=1S/C5H6BrClN3O2PS/c6-3-1-2(4(7)14-3)5(11)10-13(8,9)12/h1H,(H5,8,9,10,11,12)
InChIKeyDLZREZJKMSDQAD-UHFFFAOYSA-N
MW318.52 g/mol
LogP1.92
Rot. Bonds2

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

5-bromo-2-chloro-N-diaminophosphorylthiophene-3-carboxamide (PubChem CID 18938075) has the molecular formula C5H6BrClN3O2PS and a molecular weight of 318.52 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-diaminophosphorylthiophene-3-carboxamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-diaminophosphorylthiophene-3-carboxamide
PubChem CID18938075
Molecular FormulaC5H6BrClN3O2PS
Molecular Weight318.52 g/mol
Exact Mass316.88
IUPAC Name5-bromo-2-chloro-N-diaminophosphorylthiophene-3-carboxamide
SMILESNP(N)(=O)NC(=O)c1cc(Br)sc1Cl
InChIInChI=1S/C5H6BrClN3O2PS/c6-3-1-2(4(7)14-3)5(11)10-13(8,9)12/h1H,(H5,8,9,10,11,12)
InChIKeyDLZREZJKMSDQAD-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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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-diaminophosphorylthiophene-3-carboxamide?
The IUPAC name of 5-bromo-2-chloro-N-diaminophosphorylthiophene-3-carboxamide (CID 18938075) is 5-bromo-2-chloro-N-diaminophosphorylthiophene-3-carboxamide.
What is the SMILES notation for 5-bromo-2-chloro-N-diaminophosphorylthiophene-3-carboxamide?
The canonical SMILES for 5-bromo-2-chloro-N-diaminophosphorylthiophene-3-carboxamide is NP(N)(=O)NC(=O)c1cc(Br)sc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-diaminophosphorylthiophene-3-carboxamide?
The InChIKey is DLZREZJKMSDQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6BrClN3O2PS/c6-3-1-2(4(7)14-3)5(11)10-13(8,9)12/h1H,(H5,8,9,10,11,12).
What are the key properties of 5-bromo-2-chloro-N-diaminophosphorylthiophene-3-carboxamide?
5-bromo-2-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 5-bromo-2-chloro-N-diaminophosphorylthiophene-3-carboxamide is sourced from PubChem (CID 18938075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).