N-diaminophosphorylthiophene-3-carboxamide

C5H8N3O2PS — CID 18938065

IUPACN-diaminophosphorylthiophene-3-carboxamide
SMILESNP(N)(=O)NC(=O)c1ccsc1
InChIInChI=1S/C5H8N3O2PS/c6-11(7,10)8-5(9)4-1-2-12-3-4/h1-3H,(H5,6,7,8,9,10)
InChIKeyAOOYIUNORPACED-UHFFFAOYSA-N
MW205.18 g/mol
LogP0.50
Rot. Bonds2

About N-diaminophosphorylthiophene-3-carboxamide

N-diaminophosphorylthiophene-3-carboxamide (PubChem CID 18938065) has the molecular formula C5H8N3O2PS and a molecular weight of 205.18 g/mol. Its IUPAC name is N-diaminophosphorylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-diaminophosphorylthiophene-3-carboxamide
PubChem CID18938065
Molecular FormulaC5H8N3O2PS
Molecular Weight205.18 g/mol
Exact Mass205.01
IUPAC NameN-diaminophosphorylthiophene-3-carboxamide
SMILESNP(N)(=O)NC(=O)c1ccsc1
InChIInChI=1S/C5H8N3O2PS/c6-11(7,10)8-5(9)4-1-2-12-3-4/h1-3H,(H5,6,7,8,9,10)
InChIKeyAOOYIUNORPACED-UHFFFAOYSA-N
XLogP0.50
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 50.50
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

Thiophene-3-carboxamide
CID 11205757
Thiophene-3-carbohydrazide
CID 468648
N-hydroxythiophene-3-carboxamide
CID 24707952
2-Iodothiophene-3-carboxamide
CID 119020665
N-(thiophene-3-carbonyl)sulfamoyl fluoride
CID 101486974
5-Fluorothiophene-3-carboxamide
CID 121229194
2-Fluorothiophene-3-carboxamide
CID 121229195
5-Iodothiophene-3-carboxamide
CID 53611236
Thiophene-3-carbonyl azide
CID 12348183
2-bromo-N-diaminophosphorylthiophene-3-carboxamide
CID 18938017
5-chloro-N-diaminophosphorylthiophene-3-carboxamide
CID 18938022
N-diaminophosphoryl-4-methylthiophene-3-carboxamide
CID 18938039

Frequently Asked Questions

What is the IUPAC name of N-diaminophosphorylthiophene-3-carboxamide?
The IUPAC name of N-diaminophosphorylthiophene-3-carboxamide (CID 18938065) is N-diaminophosphorylthiophene-3-carboxamide.
What is the SMILES notation for N-diaminophosphorylthiophene-3-carboxamide?
The canonical SMILES for N-diaminophosphorylthiophene-3-carboxamide is NP(N)(=O)NC(=O)c1ccsc1.
What is the InChIKey of N-diaminophosphorylthiophene-3-carboxamide?
The InChIKey is AOOYIUNORPACED-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N3O2PS/c6-11(7,10)8-5(9)4-1-2-12-3-4/h1-3H,(H5,6,7,8,9,10).
What are the key properties of N-diaminophosphorylthiophene-3-carboxamide?
N-diaminophosphorylthiophene-3-carboxamide has a molecular weight of 205.18 g/mol, XLogP of 0.50, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-diaminophosphorylthiophene-3-carboxamide is sourced from PubChem (CID 18938065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).