7-propan-2-yloxy-9-(trifluoromethyl)-2,3-dihydro-1H-pyrido[3,2-g][1,4]benzothiazine

C15H15F3N2OS — CID 18416152

IUPAC7-propan-2-yloxy-9-(trifluoromethyl)-2,3-dihydro-1H-pyrido[3,2-g][1,4]benzothiazine
SMILESCC(C)Oc1cc(C(F)(F)F)c2cc3c(cc2n1)SCCN3
InChIInChI=1S/C15H15F3N2OS/c1-8(2)21-14-6-10(15(16,17)18)9-5-12-13(7-11(9)20-14)22-4-3-19-12/h5-8,19H,3-4H2,1-2H3
InChIKeyZHNBNJOJRPTOJW-UHFFFAOYSA-N
MW328.36 g/mol
LogP4.56
Rot. Bonds2

About 7-propan-2-yloxy-9-(trifluoromethyl)-2,3-dihydro-1H-pyrido[3,2-g][1,4]benzothiazine

7-propan-2-yloxy-9-(trifluoromethyl)-2,3-dihydro-1H-pyrido[3,2-g][1,4]benzothiazine (PubChem CID 18416152) has the molecular formula C15H15F3N2OS and a molecular weight of 328.36 g/mol. Its IUPAC name is 7-propan-2-yloxy-9-(trifluoromethyl)-2,3-dihydro-1H-pyrido[3,2-g][1,4]benzothiazine.

Molecular Properties

Compound Name7-propan-2-yloxy-9-(trifluoromethyl)-2,3-dihydro-1H-pyrido[3,2-g][1,4]benzothiazine
PubChem CID18416152
Molecular FormulaC15H15F3N2OS
Molecular Weight328.36 g/mol
Exact Mass328.09
IUPAC Name7-propan-2-yloxy-9-(trifluoromethyl)-2,3-dihydro-1H-pyrido[3,2-g][1,4]benzothiazine
SMILESCC(C)Oc1cc(C(F)(F)F)c2cc3c(cc2n1)SCCN3
InChIInChI=1S/C15H15F3N2OS/c1-8(2)21-14-6-10(15(16,17)18)9-5-12-13(7-11(9)20-14)22-4-3-19-12/h5-8,19H,3-4H2,1-2H3
InChIKeyZHNBNJOJRPTOJW-UHFFFAOYSA-N
XLogP4.56
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.36
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-propan-2-yloxy-9-(trifluoromethyl)-2,3-dihydro-1H-pyrido[3,2-g][1,4]benzothiazine?
The IUPAC name of 7-propan-2-yloxy-9-(trifluoromethyl)-2,3-dihydro-1H-pyrido[3,2-g][1,4]benzothiazine (CID 18416152) is 7-propan-2-yloxy-9-(trifluoromethyl)-2,3-dihydro-1H-pyrido[3,2-g][1,4]benzothiazine.
What is the SMILES notation for 7-propan-2-yloxy-9-(trifluoromethyl)-2,3-dihydro-1H-pyrido[3,2-g][1,4]benzothiazine?
The canonical SMILES for 7-propan-2-yloxy-9-(trifluoromethyl)-2,3-dihydro-1H-pyrido[3,2-g][1,4]benzothiazine is CC(C)Oc1cc(C(F)(F)F)c2cc3c(cc2n1)SCCN3.
What is the InChIKey of 7-propan-2-yloxy-9-(trifluoromethyl)-2,3-dihydro-1H-pyrido[3,2-g][1,4]benzothiazine?
The InChIKey is ZHNBNJOJRPTOJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2OS/c1-8(2)21-14-6-10(15(16,17)18)9-5-12-13(7-11(9)20-14)22-4-3-19-12/h5-8,19H,3-4H2,1-2H3.
What are the key properties of 7-propan-2-yloxy-9-(trifluoromethyl)-2,3-dihydro-1H-pyrido[3,2-g][1,4]benzothiazine?
7-propan-2-yloxy-9-(trifluoromethyl)-2,3-dihydro-1H-pyrido[3,2-g][1,4]benzothiazine has a molecular weight of 328.36 g/mol, XLogP of 4.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-propan-2-yloxy-9-(trifluoromethyl)-2,3-dihydro-1H-pyrido[3,2-g][1,4]benzothiazine is sourced from PubChem (CID 18416152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).