6-morpholin-4-yl-4-naphthalen-2-yl-2,3-dihydrothieno[3,2-e]thiazin-4-ol

C20H20N2O2S2 — CID 123801267

IUPAC6-morpholin-4-yl-4-naphthalen-2-yl-2,3-dihydrothieno[3,2-e]thiazin-4-ol
SMILESOC1(c2ccc3ccccc3c2)CNSc2sc(N3CCOCC3)cc21
InChIInChI=1S/C20H20N2O2S2/c23-20(16-6-5-14-3-1-2-4-15(14)11-16)13-21-26-19-17(20)12-18(25-19)22-7-9-24-10-8-22/h1-6,11-12,21,23H,7-10,13H2
InChIKeyACVBNDYJSGPWLK-UHFFFAOYSA-N
MW384.53 g/mol
LogP3.58
Rot. Bonds2

About 6-morpholin-4-yl-4-naphthalen-2-yl-2,3-dihydrothieno[3,2-e]thiazin-4-ol

6-morpholin-4-yl-4-naphthalen-2-yl-2,3-dihydrothieno[3,2-e]thiazin-4-ol (PubChem CID 123801267) has the molecular formula C20H20N2O2S2 and a molecular weight of 384.53 g/mol. Its IUPAC name is 6-morpholin-4-yl-4-naphthalen-2-yl-2,3-dihydrothieno[3,2-e]thiazin-4-ol.

Molecular Properties

Compound Name6-morpholin-4-yl-4-naphthalen-2-yl-2,3-dihydrothieno[3,2-e]thiazin-4-ol
PubChem CID123801267
Molecular FormulaC20H20N2O2S2
Molecular Weight384.53 g/mol
Exact Mass384.10
IUPAC Name6-morpholin-4-yl-4-naphthalen-2-yl-2,3-dihydrothieno[3,2-e]thiazin-4-ol
SMILESOC1(c2ccc3ccccc3c2)CNSc2sc(N3CCOCC3)cc21
InChIInChI=1S/C20H20N2O2S2/c23-20(16-6-5-14-3-1-2-4-15(14)11-16)13-21-26-19-17(20)12-18(25-19)22-7-9-24-10-8-22/h1-6,11-12,21,23H,7-10,13H2
InChIKeyACVBNDYJSGPWLK-UHFFFAOYSA-N
XLogP3.58
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.53
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-morpholin-4-yl-4-naphthalen-2-yl-2,3-dihydrothieno[3,2-e]thiazin-4-ol?
The IUPAC name of 6-morpholin-4-yl-4-naphthalen-2-yl-2,3-dihydrothieno[3,2-e]thiazin-4-ol (CID 123801267) is 6-morpholin-4-yl-4-naphthalen-2-yl-2,3-dihydrothieno[3,2-e]thiazin-4-ol.
What is the SMILES notation for 6-morpholin-4-yl-4-naphthalen-2-yl-2,3-dihydrothieno[3,2-e]thiazin-4-ol?
The canonical SMILES for 6-morpholin-4-yl-4-naphthalen-2-yl-2,3-dihydrothieno[3,2-e]thiazin-4-ol is OC1(c2ccc3ccccc3c2)CNSc2sc(N3CCOCC3)cc21.
What is the InChIKey of 6-morpholin-4-yl-4-naphthalen-2-yl-2,3-dihydrothieno[3,2-e]thiazin-4-ol?
The InChIKey is ACVBNDYJSGPWLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2S2/c23-20(16-6-5-14-3-1-2-4-15(14)11-16)13-21-26-19-17(20)12-18(25-19)22-7-9-24-10-8-22/h1-6,11-12,21,23H,7-10,13H2.
What are the key properties of 6-morpholin-4-yl-4-naphthalen-2-yl-2,3-dihydrothieno[3,2-e]thiazin-4-ol?
6-morpholin-4-yl-4-naphthalen-2-yl-2,3-dihydrothieno[3,2-e]thiazin-4-ol has a molecular weight of 384.53 g/mol, XLogP of 3.58, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-morpholin-4-yl-4-naphthalen-2-yl-2,3-dihydrothieno[3,2-e]thiazin-4-ol is sourced from PubChem (CID 123801267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).