2-amino-4-phenyl-6-phenyliminothiopyran-3-carbonitrile

C18H13N3S — CID 13198001

IUPAC2-amino-4-phenyl-6-phenyliminothiopyran-3-carbonitrile
SMILESN#Cc1c(-c2ccccc2)c/c(=N/c2ccccc2)sc1N
InChIInChI=1S/C18H13N3S/c19-12-16-15(13-7-3-1-4-8-13)11-17(22-18(16)20)21-14-9-5-2-6-10-14/h1-11H,20H2/b21-17-
InChIKeyXKGIJAKBZNSJJJ-FXBPSFAMSA-N
MW303.39 g/mol
LogP4.10
Rot. Bonds2

About 2-amino-4-phenyl-6-phenyliminothiopyran-3-carbonitrile

2-amino-4-phenyl-6-phenyliminothiopyran-3-carbonitrile (PubChem CID 13198001) has the molecular formula C18H13N3S and a molecular weight of 303.39 g/mol. Its IUPAC name is 2-amino-4-phenyl-6-phenyliminothiopyran-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-phenyl-6-phenyliminothiopyran-3-carbonitrile
PubChem CID13198001
Molecular FormulaC18H13N3S
Molecular Weight303.39 g/mol
Exact Mass303.08
IUPAC Name2-amino-4-phenyl-6-phenyliminothiopyran-3-carbonitrile
SMILESN#Cc1c(-c2ccccc2)c/c(=N/c2ccccc2)sc1N
InChIInChI=1S/C18H13N3S/c19-12-16-15(13-7-3-1-4-8-13)11-17(22-18(16)20)21-14-9-5-2-6-10-14/h1-11H,20H2/b21-17-
InChIKeyXKGIJAKBZNSJJJ-FXBPSFAMSA-N
XLogP4.10
TPSA62.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-phenyl-6-phenyliminothiopyran-3-carbonitrile?
The IUPAC name of 2-amino-4-phenyl-6-phenyliminothiopyran-3-carbonitrile (CID 13198001) is 2-amino-4-phenyl-6-phenyliminothiopyran-3-carbonitrile.
What is the SMILES notation for 2-amino-4-phenyl-6-phenyliminothiopyran-3-carbonitrile?
The canonical SMILES for 2-amino-4-phenyl-6-phenyliminothiopyran-3-carbonitrile is N#Cc1c(-c2ccccc2)c/c(=N/c2ccccc2)sc1N.
What is the InChIKey of 2-amino-4-phenyl-6-phenyliminothiopyran-3-carbonitrile?
The InChIKey is XKGIJAKBZNSJJJ-FXBPSFAMSA-N. The full InChI is InChI=1S/C18H13N3S/c19-12-16-15(13-7-3-1-4-8-13)11-17(22-18(16)20)21-14-9-5-2-6-10-14/h1-11H,20H2/b21-17-.
What are the key properties of 2-amino-4-phenyl-6-phenyliminothiopyran-3-carbonitrile?
2-amino-4-phenyl-6-phenyliminothiopyran-3-carbonitrile has a molecular weight of 303.39 g/mol, XLogP of 4.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-phenyl-6-phenyliminothiopyran-3-carbonitrile is sourced from PubChem (CID 13198001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).