2,5-dichloro-N-diaminophosphorylthiophene-3-carboxamide

C5H6Cl2N3O2PS — CID 18938013

IUPAC2,5-dichloro-N-diaminophosphorylthiophene-3-carboxamide
SMILESNP(N)(=O)NC(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C5H6Cl2N3O2PS/c6-3-1-2(4(7)14-3)5(11)10-13(8,9)12/h1H,(H5,8,9,10,11,12)
InChIKeyUGMITJLNLSNDAE-UHFFFAOYSA-N
MW274.07 g/mol
LogP1.81
Rot. Bonds2

About 2,5-dichloro-N-diaminophosphorylthiophene-3-carboxamide

2,5-dichloro-N-diaminophosphorylthiophene-3-carboxamide (PubChem CID 18938013) has the molecular formula C5H6Cl2N3O2PS and a molecular weight of 274.07 g/mol. Its IUPAC name is 2,5-dichloro-N-diaminophosphorylthiophene-3-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-diaminophosphorylthiophene-3-carboxamide
PubChem CID18938013
Molecular FormulaC5H6Cl2N3O2PS
Molecular Weight274.07 g/mol
Exact Mass272.93
IUPAC Name2,5-dichloro-N-diaminophosphorylthiophene-3-carboxamide
SMILESNP(N)(=O)NC(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C5H6Cl2N3O2PS/c6-3-1-2(4(7)14-3)5(11)10-13(8,9)12/h1H,(H5,8,9,10,11,12)
InChIKeyUGMITJLNLSNDAE-UHFFFAOYSA-N
XLogP1.81
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.07
LogP ≤ 51.81
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 2,5-dichloro-N-diaminophosphorylthiophene-3-carboxamide?
The IUPAC name of 2,5-dichloro-N-diaminophosphorylthiophene-3-carboxamide (CID 18938013) is 2,5-dichloro-N-diaminophosphorylthiophene-3-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-diaminophosphorylthiophene-3-carboxamide?
The canonical SMILES for 2,5-dichloro-N-diaminophosphorylthiophene-3-carboxamide is NP(N)(=O)NC(=O)c1cc(Cl)sc1Cl.
What is the InChIKey of 2,5-dichloro-N-diaminophosphorylthiophene-3-carboxamide?
The InChIKey is UGMITJLNLSNDAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6Cl2N3O2PS/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 2,5-dichloro-N-diaminophosphorylthiophene-3-carboxamide?
2,5-dichloro-N-diaminophosphorylthiophene-3-carboxamide has a molecular weight of 274.07 g/mol, XLogP of 1.81, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-diaminophosphorylthiophene-3-carboxamide is sourced from PubChem (CID 18938013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).