10-(pyridin-4-ylmethyl)phenothiazine

C18H14N2S — CID 15777369

IUPAC10-(pyridin-4-ylmethyl)phenothiazine
SMILESc1ccc2c(c1)Sc1ccccc1N2Cc1ccncc1
InChIInChI=1S/C18H14N2S/c1-3-7-17-15(5-1)20(13-14-9-11-19-12-10-14)16-6-2-4-8-18(16)21-17/h1-12H,13H2
InChIKeyCKMHDZUELOYKGH-UHFFFAOYSA-N
MW290.39 g/mol
LogP4.88
Rot. Bonds2

About 10-(pyridin-4-ylmethyl)phenothiazine

10-(pyridin-4-ylmethyl)phenothiazine (PubChem CID 15777369) has the molecular formula C18H14N2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 10-(pyridin-4-ylmethyl)phenothiazine.

Molecular Properties

Compound Name10-(pyridin-4-ylmethyl)phenothiazine
PubChem CID15777369
Molecular FormulaC18H14N2S
Molecular Weight290.39 g/mol
Exact Mass290.09
IUPAC Name10-(pyridin-4-ylmethyl)phenothiazine
SMILESc1ccc2c(c1)Sc1ccccc1N2Cc1ccncc1
InChIInChI=1S/C18H14N2S/c1-3-7-17-15(5-1)20(13-14-9-11-19-12-10-14)16-6-2-4-8-18(16)21-17/h1-12H,13H2
InChIKeyCKMHDZUELOYKGH-UHFFFAOYSA-N
XLogP4.88
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 10-(pyridin-4-ylmethyl)phenothiazine?
The IUPAC name of 10-(pyridin-4-ylmethyl)phenothiazine (CID 15777369) is 10-(pyridin-4-ylmethyl)phenothiazine.
What is the SMILES notation for 10-(pyridin-4-ylmethyl)phenothiazine?
The canonical SMILES for 10-(pyridin-4-ylmethyl)phenothiazine is c1ccc2c(c1)Sc1ccccc1N2Cc1ccncc1.
What is the InChIKey of 10-(pyridin-4-ylmethyl)phenothiazine?
The InChIKey is CKMHDZUELOYKGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2S/c1-3-7-17-15(5-1)20(13-14-9-11-19-12-10-14)16-6-2-4-8-18(16)21-17/h1-12H,13H2.
What are the key properties of 10-(pyridin-4-ylmethyl)phenothiazine?
10-(pyridin-4-ylmethyl)phenothiazine has a molecular weight of 290.39 g/mol, XLogP of 4.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(pyridin-4-ylmethyl)phenothiazine is sourced from PubChem (CID 15777369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).