3-propan-2-yloxy-10H-phenothiazine

C15H15NOS — CID 22404595

IUPAC3-propan-2-yloxy-10H-phenothiazine
SMILESCC(C)Oc1ccc2c(c1)Sc1ccccc1N2
InChIInChI=1S/C15H15NOS/c1-10(2)17-11-7-8-13-15(9-11)18-14-6-4-3-5-12(14)16-13/h3-10,16H,1-2H3
InChIKeyJOKBOTWSKLYLAW-UHFFFAOYSA-N
MW257.36 g/mol
LogP4.68
Rot. Bonds2

About 3-propan-2-yloxy-10H-phenothiazine

3-propan-2-yloxy-10H-phenothiazine (PubChem CID 22404595) has the molecular formula C15H15NOS and a molecular weight of 257.36 g/mol. Its IUPAC name is 3-propan-2-yloxy-10H-phenothiazine.

Molecular Properties

Compound Name3-propan-2-yloxy-10H-phenothiazine
PubChem CID22404595
Molecular FormulaC15H15NOS
Molecular Weight257.36 g/mol
Exact Mass257.09
IUPAC Name3-propan-2-yloxy-10H-phenothiazine
SMILESCC(C)Oc1ccc2c(c1)Sc1ccccc1N2
InChIInChI=1S/C15H15NOS/c1-10(2)17-11-7-8-13-15(9-11)18-14-6-4-3-5-12(14)16-13/h3-10,16H,1-2H3
InChIKeyJOKBOTWSKLYLAW-UHFFFAOYSA-N
XLogP4.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-propan-2-yloxy-10H-phenothiazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yloxy-10H-phenothiazine?
The IUPAC name of 3-propan-2-yloxy-10H-phenothiazine (CID 22404595) is 3-propan-2-yloxy-10H-phenothiazine.
What is the SMILES notation for 3-propan-2-yloxy-10H-phenothiazine?
The canonical SMILES for 3-propan-2-yloxy-10H-phenothiazine is CC(C)Oc1ccc2c(c1)Sc1ccccc1N2.
What is the InChIKey of 3-propan-2-yloxy-10H-phenothiazine?
The InChIKey is JOKBOTWSKLYLAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NOS/c1-10(2)17-11-7-8-13-15(9-11)18-14-6-4-3-5-12(14)16-13/h3-10,16H,1-2H3.
What are the key properties of 3-propan-2-yloxy-10H-phenothiazine?
3-propan-2-yloxy-10H-phenothiazine has a molecular weight of 257.36 g/mol, XLogP of 4.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yloxy-10H-phenothiazine is sourced from PubChem (CID 22404595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).