10-(3-pyridin-2-ylpropyl)phenothiazine

C20H18N2S — CID 131954204

IUPAC10-(3-pyridin-2-ylpropyl)phenothiazine
SMILESc1ccc(CCCN2c3ccccc3Sc3ccccc32)nc1
InChIInChI=1S/C20H18N2S/c1-3-12-19-17(10-1)22(18-11-2-4-13-20(18)23-19)15-7-9-16-8-5-6-14-21-16/h1-6,8,10-14H,7,9,15H2
InChIKeyVIIREHXBZZGUGD-UHFFFAOYSA-N
MW318.45 g/mol
LogP5.32
Rot. Bonds4

About 10-(3-pyridin-2-ylpropyl)phenothiazine

10-(3-pyridin-2-ylpropyl)phenothiazine (PubChem CID 131954204) has the molecular formula C20H18N2S and a molecular weight of 318.45 g/mol. Its IUPAC name is 10-(3-pyridin-2-ylpropyl)phenothiazine.

Molecular Properties

Compound Name10-(3-pyridin-2-ylpropyl)phenothiazine
PubChem CID131954204
Molecular FormulaC20H18N2S
Molecular Weight318.45 g/mol
Exact Mass318.12
IUPAC Name10-(3-pyridin-2-ylpropyl)phenothiazine
SMILESc1ccc(CCCN2c3ccccc3Sc3ccccc32)nc1
InChIInChI=1S/C20H18N2S/c1-3-12-19-17(10-1)22(18-11-2-4-13-20(18)23-19)15-7-9-16-8-5-6-14-21-16/h1-6,8,10-14H,7,9,15H2
InChIKeyVIIREHXBZZGUGD-UHFFFAOYSA-N
XLogP5.32
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.45
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_thio_666_A(13)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10-(3-pyridin-2-ylpropyl)phenothiazine?
The IUPAC name of 10-(3-pyridin-2-ylpropyl)phenothiazine (CID 131954204) is 10-(3-pyridin-2-ylpropyl)phenothiazine.
What is the SMILES notation for 10-(3-pyridin-2-ylpropyl)phenothiazine?
The canonical SMILES for 10-(3-pyridin-2-ylpropyl)phenothiazine is c1ccc(CCCN2c3ccccc3Sc3ccccc32)nc1.
What is the InChIKey of 10-(3-pyridin-2-ylpropyl)phenothiazine?
The InChIKey is VIIREHXBZZGUGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2S/c1-3-12-19-17(10-1)22(18-11-2-4-13-20(18)23-19)15-7-9-16-8-5-6-14-21-16/h1-6,8,10-14H,7,9,15H2.
What are the key properties of 10-(3-pyridin-2-ylpropyl)phenothiazine?
10-(3-pyridin-2-ylpropyl)phenothiazine has a molecular weight of 318.45 g/mol, XLogP of 5.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(3-pyridin-2-ylpropyl)phenothiazine is sourced from PubChem (CID 131954204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).