phenyl N-phenyl-3-pyrimidin-2-ylsulfanylprop-2-enimidate

C19H15N3OS — CID 90720629

IUPACphenyl N-phenyl-3-pyrimidin-2-ylsulfanylprop-2-enimidate
SMILESC(=C/C(=N\c1ccccc1)Oc1ccccc1)Sc1ncccn1
InChIInChI=1S/C19H15N3OS/c1-3-8-16(9-4-1)22-18(23-17-10-5-2-6-11-17)12-15-24-19-20-13-7-14-21-19/h1-15H/b15-12?,22-18+
InChIKeyGSQYSAGVHNOXTP-JUBBWDHMSA-N
MW333.42 g/mol
LogP4.89
Rot. Bonds5

About phenyl N-phenyl-3-pyrimidin-2-ylsulfanylprop-2-enimidate

phenyl N-phenyl-3-pyrimidin-2-ylsulfanylprop-2-enimidate (PubChem CID 90720629) has the molecular formula C19H15N3OS and a molecular weight of 333.42 g/mol. Its IUPAC name is phenyl N-phenyl-3-pyrimidin-2-ylsulfanylprop-2-enimidate.

Molecular Properties

Compound Namephenyl N-phenyl-3-pyrimidin-2-ylsulfanylprop-2-enimidate
PubChem CID90720629
Molecular FormulaC19H15N3OS
Molecular Weight333.42 g/mol
Exact Mass333.09
IUPAC Namephenyl N-phenyl-3-pyrimidin-2-ylsulfanylprop-2-enimidate
SMILESC(=C/C(=N\c1ccccc1)Oc1ccccc1)Sc1ncccn1
InChIInChI=1S/C19H15N3OS/c1-3-8-16(9-4-1)22-18(23-17-10-5-2-6-11-17)12-15-24-19-20-13-7-14-21-19/h1-15H/b15-12?,22-18+
InChIKeyGSQYSAGVHNOXTP-JUBBWDHMSA-N
XLogP4.89
TPSA47.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

phenyl N-phenyl-3-pyridin-2-ylsulfanylprop-2-enimidate
CID 91613150
phenyl N-phenyl-3-pyridin-4-ylsulfanylprop-2-enimidate
CID 90910157
phenyl (E)-3-methylsulfanyl-N-phenylprop-2-enimidate
CID 69126845
phenyl 3-methylsulfanyl-N-phenylprop-2-enimidate
CID 69126846
phenyl 3-(3-methylphenyl)sulfanyl-N-phenylprop-2-enimidate
CID 91159883
phenyl 3-(3-bromophenyl)sulfanyl-N-phenylprop-2-enimidate
CID 90789321
phenyl N-(4-cyanophenyl)-3-phenylsulfanylprop-2-enimidate
CID 91231799
phenyl 3-phenoxy-N-(4-propan-2-ylphenyl)prop-2-enimidate
CID 90699433
phenyl N-(4-acetylphenyl)-3-phenoxyprop-2-enimidate
CID 91481132
phenyl (E)-2-methyl-3-phenoxy-N-phenylprop-2-enimidate
CID 59498395
1-(3-chlorophenyl)-3-(3-methoxyphenyl)sulfanyl-N-phenylprop-2-en-1-imine
CID 91164715
3-(4-bromophenyl)sulfanyl-N,1-diphenylprop-2-en-1-imine
CID 74438019

Frequently Asked Questions

What is the IUPAC name of phenyl N-phenyl-3-pyrimidin-2-ylsulfanylprop-2-enimidate?
The IUPAC name of phenyl N-phenyl-3-pyrimidin-2-ylsulfanylprop-2-enimidate (CID 90720629) is phenyl N-phenyl-3-pyrimidin-2-ylsulfanylprop-2-enimidate.
What is the SMILES notation for phenyl N-phenyl-3-pyrimidin-2-ylsulfanylprop-2-enimidate?
The canonical SMILES for phenyl N-phenyl-3-pyrimidin-2-ylsulfanylprop-2-enimidate is C(=C/C(=N\c1ccccc1)Oc1ccccc1)Sc1ncccn1.
What is the InChIKey of phenyl N-phenyl-3-pyrimidin-2-ylsulfanylprop-2-enimidate?
The InChIKey is GSQYSAGVHNOXTP-JUBBWDHMSA-N. The full InChI is InChI=1S/C19H15N3OS/c1-3-8-16(9-4-1)22-18(23-17-10-5-2-6-11-17)12-15-24-19-20-13-7-14-21-19/h1-15H/b15-12?,22-18+.
What are the key properties of phenyl N-phenyl-3-pyrimidin-2-ylsulfanylprop-2-enimidate?
phenyl N-phenyl-3-pyrimidin-2-ylsulfanylprop-2-enimidate has a molecular weight of 333.42 g/mol, XLogP of 4.89, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-phenyl-3-pyrimidin-2-ylsulfanylprop-2-enimidate is sourced from PubChem (CID 90720629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).