10-(2-methylprop-2-enyl)phenothiazine

C16H15NS — CID 788107

IUPAC10-(2-methylprop-2-enyl)phenothiazine
SMILESC=C(C)CN1c2ccccc2Sc2ccccc21
InChIInChI=1S/C16H15NS/c1-12(2)11-17-13-7-3-5-9-15(13)18-16-10-6-4-8-14(16)17/h3-10H,1,11H2,2H3
InChIKeyVDZPUHLYWJVGPH-UHFFFAOYSA-N
MW253.37 g/mol
LogP4.87
Rot. Bonds2

About 10-(2-methylprop-2-enyl)phenothiazine

10-(2-methylprop-2-enyl)phenothiazine (PubChem CID 788107) has the molecular formula C16H15NS and a molecular weight of 253.37 g/mol. Its IUPAC name is 10-(2-methylprop-2-enyl)phenothiazine.

Molecular Properties

Compound Name10-(2-methylprop-2-enyl)phenothiazine
PubChem CID788107
Molecular FormulaC16H15NS
Molecular Weight253.37 g/mol
Exact Mass253.09
IUPAC Name10-(2-methylprop-2-enyl)phenothiazine
SMILESC=C(C)CN1c2ccccc2Sc2ccccc21
InChIInChI=1S/C16H15NS/c1-12(2)11-17-13-7-3-5-9-15(13)18-16-10-6-4-8-14(16)17/h3-10H,1,11H2,2H3
InChIKeyVDZPUHLYWJVGPH-UHFFFAOYSA-N
XLogP4.87
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Phenothiazine
CID 7108
Promethazine
CID 4927
(+-)-Trimeprazine
CID 5574
Promazine
CID 4926
Thioridazine
CID 5452
Triflupromazine
CID 5568
Promethazine Hydrochloride
CID 6014
Perazine
CID 4744
Methdilazine
CID 14677
Cyamemazine
CID 62865
10-(2-(1-Pyrrolidinyl)ethyl)-10H-phenothiazine
CID 10646
(+-)-Ethopropazine
CID 3290

Frequently Asked Questions

What is the IUPAC name of 10-(2-methylprop-2-enyl)phenothiazine?
The IUPAC name of 10-(2-methylprop-2-enyl)phenothiazine (CID 788107) is 10-(2-methylprop-2-enyl)phenothiazine.
What is the SMILES notation for 10-(2-methylprop-2-enyl)phenothiazine?
The canonical SMILES for 10-(2-methylprop-2-enyl)phenothiazine is C=C(C)CN1c2ccccc2Sc2ccccc21.
What is the InChIKey of 10-(2-methylprop-2-enyl)phenothiazine?
The InChIKey is VDZPUHLYWJVGPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NS/c1-12(2)11-17-13-7-3-5-9-15(13)18-16-10-6-4-8-14(16)17/h3-10H,1,11H2,2H3.
What are the key properties of 10-(2-methylprop-2-enyl)phenothiazine?
10-(2-methylprop-2-enyl)phenothiazine has a molecular weight of 253.37 g/mol, XLogP of 4.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2-methylprop-2-enyl)phenothiazine is sourced from PubChem (CID 788107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).