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

C19H16N2S — CID 134853152

IUPAC10-(2-pyridin-3-ylethyl)phenothiazine
SMILESc1cncc(CCN2c3ccccc3Sc3ccccc32)c1
InChIInChI=1S/C19H16N2S/c1-3-9-18-16(7-1)21(13-11-15-6-5-12-20-14-15)17-8-2-4-10-19(17)22-18/h1-10,12,14H,11,13H2
InChIKeyGHBTZYVZJPCEHE-UHFFFAOYSA-N
MW304.42 g/mol
LogP4.93
Rot. Bonds3

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

10-(2-pyridin-3-ylethyl)phenothiazine (PubChem CID 134853152) has the molecular formula C19H16N2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 10-(2-pyridin-3-ylethyl)phenothiazine.

Molecular Properties

Compound Name10-(2-pyridin-3-ylethyl)phenothiazine
PubChem CID134853152
Molecular FormulaC19H16N2S
Molecular Weight304.42 g/mol
Exact Mass304.10
IUPAC Name10-(2-pyridin-3-ylethyl)phenothiazine
SMILESc1cncc(CCN2c3ccccc3Sc3ccccc32)c1
InChIInChI=1S/C19H16N2S/c1-3-9-18-16(7-1)21(13-11-15-6-5-12-20-14-15)17-8-2-4-10-19(17)22-18/h1-10,12,14H,11,13H2
InChIKeyGHBTZYVZJPCEHE-UHFFFAOYSA-N
XLogP4.93
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 54.93
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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Related Compounds

10-(2-phenylethyl)phenothiazine
CID 4594348
3-phenothiazin-10-yl-N-pyridin-3-ylpropanamide
CID 2106288
N-(pyridin-3-ylmethyl)phenothiazine-10-carboxamide
CID 704264
10-[2-(3-ethenylphenyl)ethyl]phenothiazine
CID 90842079
5-methylpyrido[3,4-b][1,4]benzothiazine
CID 23521305
3-(2-phenylethyl)pyridine;hydrochloride
CID 71669595
10-(2-thiophen-2-ylethyl)phenothiazine
CID 134853153
3-(2-pyrrolidin-1-ylethyl)pyridine
CID 23273673
3-phenothiazin-10-ylpropan-1-amine
CID 11079240
10-butylphenothiazine;propane
CID 177020956
10-(4-bromobutyl)phenothiazine
CID 14549797
5-iodo-3-(2-pyridin-3-ylethyl)pyrimidin-4-one
CID 66310563

Frequently Asked Questions

What is the IUPAC name of 10-(2-pyridin-3-ylethyl)phenothiazine?
The IUPAC name of 10-(2-pyridin-3-ylethyl)phenothiazine (CID 134853152) is 10-(2-pyridin-3-ylethyl)phenothiazine.
What is the SMILES notation for 10-(2-pyridin-3-ylethyl)phenothiazine?
The canonical SMILES for 10-(2-pyridin-3-ylethyl)phenothiazine is c1cncc(CCN2c3ccccc3Sc3ccccc32)c1.
What is the InChIKey of 10-(2-pyridin-3-ylethyl)phenothiazine?
The InChIKey is GHBTZYVZJPCEHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2S/c1-3-9-18-16(7-1)21(13-11-15-6-5-12-20-14-15)17-8-2-4-10-19(17)22-18/h1-10,12,14H,11,13H2.
What are the key properties of 10-(2-pyridin-3-ylethyl)phenothiazine?
10-(2-pyridin-3-ylethyl)phenothiazine has a molecular weight of 304.42 g/mol, XLogP of 4.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2-pyridin-3-ylethyl)phenothiazine is sourced from PubChem (CID 134853152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).