N-diphenylphosphoryl-1,3-benzothiazol-2-amine

C19H15N2OPS — CID 2311069

IUPACN-diphenylphosphoryl-1,3-benzothiazol-2-amine
SMILESO=P(Nc1nc2ccccc2s1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H15N2OPS/c22-23(15-9-3-1-4-10-15,16-11-5-2-6-12-16)21-19-20-17-13-7-8-14-18(17)24-19/h1-14H,(H,20,21,22)
InChIKeyLVFVWLAHOHPKBJ-UHFFFAOYSA-N
MW350.38 g/mol
LogP4.64
Rot. Bonds4

About N-diphenylphosphoryl-1,3-benzothiazol-2-amine

N-diphenylphosphoryl-1,3-benzothiazol-2-amine (PubChem CID 2311069) has the molecular formula C19H15N2OPS and a molecular weight of 350.38 g/mol. Its IUPAC name is N-diphenylphosphoryl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-diphenylphosphoryl-1,3-benzothiazol-2-amine
PubChem CID2311069
Molecular FormulaC19H15N2OPS
Molecular Weight350.38 g/mol
Exact Mass350.06
IUPAC NameN-diphenylphosphoryl-1,3-benzothiazol-2-amine
SMILESO=P(Nc1nc2ccccc2s1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H15N2OPS/c22-23(15-9-3-1-4-10-15,16-11-5-2-6-12-16)21-19-20-17-13-7-8-14-18(17)24-19/h1-14H,(H,20,21,22)
InChIKeyLVFVWLAHOHPKBJ-UHFFFAOYSA-N
XLogP4.64
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 54.64
H-Bond Donors ≤ 51
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-diphenylphosphoryl-1,3-benzothiazol-2-amine?
The IUPAC name of N-diphenylphosphoryl-1,3-benzothiazol-2-amine (CID 2311069) is N-diphenylphosphoryl-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-diphenylphosphoryl-1,3-benzothiazol-2-amine?
The canonical SMILES for N-diphenylphosphoryl-1,3-benzothiazol-2-amine is O=P(Nc1nc2ccccc2s1)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-diphenylphosphoryl-1,3-benzothiazol-2-amine?
The InChIKey is LVFVWLAHOHPKBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N2OPS/c22-23(15-9-3-1-4-10-15,16-11-5-2-6-12-16)21-19-20-17-13-7-8-14-18(17)24-19/h1-14H,(H,20,21,22).
What are the key properties of N-diphenylphosphoryl-1,3-benzothiazol-2-amine?
N-diphenylphosphoryl-1,3-benzothiazol-2-amine has a molecular weight of 350.38 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-diphenylphosphoryl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 2311069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).