6-(2-phenylethenyl)-5-phenylsulfanyl-3-(2H-tetrazol-5-yl)-1H-pyridin-2-one

C20H15N5OS — CID 135974150

IUPAC6-(2-phenylethenyl)-5-phenylsulfanyl-3-(2H-tetrazol-5-yl)-1H-pyridin-2-one
SMILESO=c1[nH]c(C=Cc2ccccc2)c(Sc2ccccc2)cc1-c1nn[nH]n1
InChIInChI=1S/C20H15N5OS/c26-20-16(19-22-24-25-23-19)13-18(27-15-9-5-2-6-10-15)17(21-20)12-11-14-7-3-1-4-8-14/h1-13H,(H,21,26)(H,22,23,24,25)
InChIKeyHVPWWSRKKZYMAY-UHFFFAOYSA-N
MW373.44 g/mol
LogP3.88
Rot. Bonds5

About 6-(2-phenylethenyl)-5-phenylsulfanyl-3-(2H-tetrazol-5-yl)-1H-pyridin-2-one

6-(2-phenylethenyl)-5-phenylsulfanyl-3-(2H-tetrazol-5-yl)-1H-pyridin-2-one (PubChem CID 135974150) has the molecular formula C20H15N5OS and a molecular weight of 373.44 g/mol. Its IUPAC name is 6-(2-phenylethenyl)-5-phenylsulfanyl-3-(2H-tetrazol-5-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(2-phenylethenyl)-5-phenylsulfanyl-3-(2H-tetrazol-5-yl)-1H-pyridin-2-one
PubChem CID135974150
Molecular FormulaC20H15N5OS
Molecular Weight373.44 g/mol
Exact Mass373.10
IUPAC Name6-(2-phenylethenyl)-5-phenylsulfanyl-3-(2H-tetrazol-5-yl)-1H-pyridin-2-one
SMILESO=c1[nH]c(C=Cc2ccccc2)c(Sc2ccccc2)cc1-c1nn[nH]n1
InChIInChI=1S/C20H15N5OS/c26-20-16(19-22-24-25-23-19)13-18(27-15-9-5-2-6-10-15)17(21-20)12-11-14-7-3-1-4-8-14/h1-13H,(H,21,26)(H,22,23,24,25)
InChIKeyHVPWWSRKKZYMAY-UHFFFAOYSA-N
XLogP3.88
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.44
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2-phenylethenyl)-5-phenylsulfanyl-3-(2H-tetrazol-5-yl)-1H-pyridin-2-one?
The IUPAC name of 6-(2-phenylethenyl)-5-phenylsulfanyl-3-(2H-tetrazol-5-yl)-1H-pyridin-2-one (CID 135974150) is 6-(2-phenylethenyl)-5-phenylsulfanyl-3-(2H-tetrazol-5-yl)-1H-pyridin-2-one.
What is the SMILES notation for 6-(2-phenylethenyl)-5-phenylsulfanyl-3-(2H-tetrazol-5-yl)-1H-pyridin-2-one?
The canonical SMILES for 6-(2-phenylethenyl)-5-phenylsulfanyl-3-(2H-tetrazol-5-yl)-1H-pyridin-2-one is O=c1[nH]c(C=Cc2ccccc2)c(Sc2ccccc2)cc1-c1nn[nH]n1.
What is the InChIKey of 6-(2-phenylethenyl)-5-phenylsulfanyl-3-(2H-tetrazol-5-yl)-1H-pyridin-2-one?
The InChIKey is HVPWWSRKKZYMAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5OS/c26-20-16(19-22-24-25-23-19)13-18(27-15-9-5-2-6-10-15)17(21-20)12-11-14-7-3-1-4-8-14/h1-13H,(H,21,26)(H,22,23,24,25).
What are the key properties of 6-(2-phenylethenyl)-5-phenylsulfanyl-3-(2H-tetrazol-5-yl)-1H-pyridin-2-one?
6-(2-phenylethenyl)-5-phenylsulfanyl-3-(2H-tetrazol-5-yl)-1H-pyridin-2-one has a molecular weight of 373.44 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-phenylethenyl)-5-phenylsulfanyl-3-(2H-tetrazol-5-yl)-1H-pyridin-2-one is sourced from PubChem (CID 135974150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).