N,N-diethyl-5-naphthalen-1-yl-3-phenyl-1,3,4,2-thiadiazaphosphol-2-amine

C21H22N3PS — CID 15761701

IUPACN,N-diethyl-5-naphthalen-1-yl-3-phenyl-1,3,4,2-thiadiazaphosphol-2-amine
SMILESCCN(CC)P1SC(c2cccc3ccccc23)=NN1c1ccccc1
InChIInChI=1S/C21H22N3PS/c1-3-23(4-2)25-24(18-13-6-5-7-14-18)22-21(26-25)20-16-10-12-17-11-8-9-15-19(17)20/h5-16H,3-4H2,1-2H3
InChIKeyAIWVHZXJMQAOFZ-UHFFFAOYSA-N
MW379.47 g/mol
LogP6.32
Rot. Bonds5

About N,N-diethyl-5-naphthalen-1-yl-3-phenyl-1,3,4,2-thiadiazaphosphol-2-amine

N,N-diethyl-5-naphthalen-1-yl-3-phenyl-1,3,4,2-thiadiazaphosphol-2-amine (PubChem CID 15761701) has the molecular formula C21H22N3PS and a molecular weight of 379.47 g/mol. Its IUPAC name is N,N-diethyl-5-naphthalen-1-yl-3-phenyl-1,3,4,2-thiadiazaphosphol-2-amine.

Molecular Properties

Compound NameN,N-diethyl-5-naphthalen-1-yl-3-phenyl-1,3,4,2-thiadiazaphosphol-2-amine
PubChem CID15761701
Molecular FormulaC21H22N3PS
Molecular Weight379.47 g/mol
Exact Mass379.13
IUPAC NameN,N-diethyl-5-naphthalen-1-yl-3-phenyl-1,3,4,2-thiadiazaphosphol-2-amine
SMILESCCN(CC)P1SC(c2cccc3ccccc23)=NN1c1ccccc1
InChIInChI=1S/C21H22N3PS/c1-3-23(4-2)25-24(18-13-6-5-7-14-18)22-21(26-25)20-16-10-12-17-11-8-9-15-19(17)20/h5-16H,3-4H2,1-2H3
InChIKeyAIWVHZXJMQAOFZ-UHFFFAOYSA-N
XLogP6.32
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.47
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

5-(2-Naphthalenyl)-1,3-diphenyl-2-pyrazoline
CID 11617204
5-(4-Methylphenyl)-3-naphthalen-1-yl-2-phenyl-3,4-dihydropyrazole
CID 2725645
5-(4-Methylphenyl)-3-naphthalen-2-yl-2-phenyl-3,4-dihydropyrazole
CID 14246200
5-(1-Naphthalenyl)-1,3-diphenyl-2-pyrazoline
CID 2802451
1-Naphthaldehyde phenylhydrazone
CID 618797
1-Phenyl-3-(2-naphthyl)-2-pyrazoline
CID 188968
3-(4-Methylphenyl)-5-naphthalen-2-yl-2-phenyl-3,4-dihydropyrazole
CID 2755330
3-(1-Naphthalenyl)-1,5-diphenyl-2-pyrazoline
CID 2802450
3-(naphthalen-2-yl)-1,5-diphenyl-4,5-dihydro-1H-pyrazole
CID 2802452
1-Naphthaldehyde, phenylhydrazone
CID 9603886
N-benzyl-N-[(E)-naphthalen-2-ylmethylideneamino]aniline
CID 53376392
Acetonaphtonphenylhydrazon
CID 129644110

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-naphthalen-1-yl-3-phenyl-1,3,4,2-thiadiazaphosphol-2-amine?
The IUPAC name of N,N-diethyl-5-naphthalen-1-yl-3-phenyl-1,3,4,2-thiadiazaphosphol-2-amine (CID 15761701) is N,N-diethyl-5-naphthalen-1-yl-3-phenyl-1,3,4,2-thiadiazaphosphol-2-amine.
What is the SMILES notation for N,N-diethyl-5-naphthalen-1-yl-3-phenyl-1,3,4,2-thiadiazaphosphol-2-amine?
The canonical SMILES for N,N-diethyl-5-naphthalen-1-yl-3-phenyl-1,3,4,2-thiadiazaphosphol-2-amine is CCN(CC)P1SC(c2cccc3ccccc23)=NN1c1ccccc1.
What is the InChIKey of N,N-diethyl-5-naphthalen-1-yl-3-phenyl-1,3,4,2-thiadiazaphosphol-2-amine?
The InChIKey is AIWVHZXJMQAOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N3PS/c1-3-23(4-2)25-24(18-13-6-5-7-14-18)22-21(26-25)20-16-10-12-17-11-8-9-15-19(17)20/h5-16H,3-4H2,1-2H3.
What are the key properties of N,N-diethyl-5-naphthalen-1-yl-3-phenyl-1,3,4,2-thiadiazaphosphol-2-amine?
N,N-diethyl-5-naphthalen-1-yl-3-phenyl-1,3,4,2-thiadiazaphosphol-2-amine has a molecular weight of 379.47 g/mol, XLogP of 6.32, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-naphthalen-1-yl-3-phenyl-1,3,4,2-thiadiazaphosphol-2-amine is sourced from PubChem (CID 15761701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).