N-diaminophosphoryl-4-methylthiophene-3-carboxamide

C6H10N3O2PS — CID 18938039

IUPACN-diaminophosphoryl-4-methylthiophene-3-carboxamide
SMILESCc1cscc1C(=O)NP(N)(N)=O
InChIInChI=1S/C6H10N3O2PS/c1-4-2-13-3-5(4)6(10)9-12(7,8)11/h2-3H,1H3,(H5,7,8,9,10,11)
InChIKeyPDGVTNWUJZKQPZ-UHFFFAOYSA-N
MW219.21 g/mol
LogP0.81
Rot. Bonds2

About N-diaminophosphoryl-4-methylthiophene-3-carboxamide

N-diaminophosphoryl-4-methylthiophene-3-carboxamide (PubChem CID 18938039) has the molecular formula C6H10N3O2PS and a molecular weight of 219.21 g/mol. Its IUPAC name is N-diaminophosphoryl-4-methylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-diaminophosphoryl-4-methylthiophene-3-carboxamide
PubChem CID18938039
Molecular FormulaC6H10N3O2PS
Molecular Weight219.21 g/mol
Exact Mass219.02
IUPAC NameN-diaminophosphoryl-4-methylthiophene-3-carboxamide
SMILESCc1cscc1C(=O)NP(N)(N)=O
InChIInChI=1S/C6H10N3O2PS/c1-4-2-13-3-5(4)6(10)9-12(7,8)11/h2-3H,1H3,(H5,7,8,9,10,11)
InChIKeyPDGVTNWUJZKQPZ-UHFFFAOYSA-N
XLogP0.81
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 50.81
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 N-diaminophosphoryl-4-methylthiophene-3-carboxamide?
The IUPAC name of N-diaminophosphoryl-4-methylthiophene-3-carboxamide (CID 18938039) is N-diaminophosphoryl-4-methylthiophene-3-carboxamide.
What is the SMILES notation for N-diaminophosphoryl-4-methylthiophene-3-carboxamide?
The canonical SMILES for N-diaminophosphoryl-4-methylthiophene-3-carboxamide is Cc1cscc1C(=O)NP(N)(N)=O.
What is the InChIKey of N-diaminophosphoryl-4-methylthiophene-3-carboxamide?
The InChIKey is PDGVTNWUJZKQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N3O2PS/c1-4-2-13-3-5(4)6(10)9-12(7,8)11/h2-3H,1H3,(H5,7,8,9,10,11).
What are the key properties of N-diaminophosphoryl-4-methylthiophene-3-carboxamide?
N-diaminophosphoryl-4-methylthiophene-3-carboxamide has a molecular weight of 219.21 g/mol, XLogP of 0.81, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-diaminophosphoryl-4-methylthiophene-3-carboxamide is sourced from PubChem (CID 18938039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).