2-chloro-N-diaminophosphorylthiophene-3-carboxamide

C5H7ClN3O2PS — CID 18938069

IUPAC2-chloro-N-diaminophosphorylthiophene-3-carboxamide
SMILESNP(N)(=O)NC(=O)c1ccsc1Cl
InChIInChI=1S/C5H7ClN3O2PS/c6-4-3(1-2-13-4)5(10)9-12(7,8)11/h1-2H,(H5,7,8,9,10,11)
InChIKeyVAUJMQREWKQTOL-UHFFFAOYSA-N
MW239.62 g/mol
LogP1.16
Rot. Bonds2

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

2-chloro-N-diaminophosphorylthiophene-3-carboxamide (PubChem CID 18938069) has the molecular formula C5H7ClN3O2PS and a molecular weight of 239.62 g/mol. Its IUPAC name is 2-chloro-N-diaminophosphorylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-diaminophosphorylthiophene-3-carboxamide
PubChem CID18938069
Molecular FormulaC5H7ClN3O2PS
Molecular Weight239.62 g/mol
Exact Mass238.97
IUPAC Name2-chloro-N-diaminophosphorylthiophene-3-carboxamide
SMILESNP(N)(=O)NC(=O)c1ccsc1Cl
InChIInChI=1S/C5H7ClN3O2PS/c6-4-3(1-2-13-4)5(10)9-12(7,8)11/h1-2H,(H5,7,8,9,10,11)
InChIKeyVAUJMQREWKQTOL-UHFFFAOYSA-N
XLogP1.16
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.62
LogP ≤ 51.16
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-chloro-N-diaminophosphorylthiophene-3-carboxamide?
The IUPAC name of 2-chloro-N-diaminophosphorylthiophene-3-carboxamide (CID 18938069) is 2-chloro-N-diaminophosphorylthiophene-3-carboxamide.
What is the SMILES notation for 2-chloro-N-diaminophosphorylthiophene-3-carboxamide?
The canonical SMILES for 2-chloro-N-diaminophosphorylthiophene-3-carboxamide is NP(N)(=O)NC(=O)c1ccsc1Cl.
What is the InChIKey of 2-chloro-N-diaminophosphorylthiophene-3-carboxamide?
The InChIKey is VAUJMQREWKQTOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7ClN3O2PS/c6-4-3(1-2-13-4)5(10)9-12(7,8)11/h1-2H,(H5,7,8,9,10,11).
What are the key properties of 2-chloro-N-diaminophosphorylthiophene-3-carboxamide?
2-chloro-N-diaminophosphorylthiophene-3-carboxamide has a molecular weight of 239.62 g/mol, XLogP of 1.16, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-diaminophosphorylthiophene-3-carboxamide is sourced from PubChem (CID 18938069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).