6-morpholin-4-yl-[1,3]dioxolo[4,5-f][1,3]benzothiazole

C12H12N2O3S — CID 3245604

IUPAC6-morpholin-4-yl-[1,3]dioxolo[4,5-f][1,3]benzothiazole
SMILESc1c2c(cc3sc(N4CCOCC4)nc13)OCO2
InChIInChI=1S/C12H12N2O3S/c1-3-15-4-2-14(1)12-13-8-5-9-10(17-7-16-9)6-11(8)18-12/h5-6H,1-4,7H2
InChIKeyLXFYEPRSZCVWCQ-UHFFFAOYSA-N
MW264.31 g/mol
LogP1.86
Rot. Bonds1

About 6-morpholin-4-yl-[1,3]dioxolo[4,5-f][1,3]benzothiazole

6-morpholin-4-yl-[1,3]dioxolo[4,5-f][1,3]benzothiazole (PubChem CID 3245604) has the molecular formula C12H12N2O3S and a molecular weight of 264.31 g/mol. Its IUPAC name is 6-morpholin-4-yl-[1,3]dioxolo[4,5-f][1,3]benzothiazole.

Molecular Properties

Compound Name6-morpholin-4-yl-[1,3]dioxolo[4,5-f][1,3]benzothiazole
PubChem CID3245604
Molecular FormulaC12H12N2O3S
Molecular Weight264.31 g/mol
Exact Mass264.06
IUPAC Name6-morpholin-4-yl-[1,3]dioxolo[4,5-f][1,3]benzothiazole
SMILESc1c2c(cc3sc(N4CCOCC4)nc13)OCO2
InChIInChI=1S/C12H12N2O3S/c1-3-15-4-2-14(1)12-13-8-5-9-10(17-7-16-9)6-11(8)18-12/h5-6H,1-4,7H2
InChIKeyLXFYEPRSZCVWCQ-UHFFFAOYSA-N
XLogP1.86
TPSA43.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-morpholin-4-yl-[1,3]dioxolo[4,5-f][1,3]benzothiazole?
The IUPAC name of 6-morpholin-4-yl-[1,3]dioxolo[4,5-f][1,3]benzothiazole (CID 3245604) is 6-morpholin-4-yl-[1,3]dioxolo[4,5-f][1,3]benzothiazole.
What is the SMILES notation for 6-morpholin-4-yl-[1,3]dioxolo[4,5-f][1,3]benzothiazole?
The canonical SMILES for 6-morpholin-4-yl-[1,3]dioxolo[4,5-f][1,3]benzothiazole is c1c2c(cc3sc(N4CCOCC4)nc13)OCO2.
What is the InChIKey of 6-morpholin-4-yl-[1,3]dioxolo[4,5-f][1,3]benzothiazole?
The InChIKey is LXFYEPRSZCVWCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3S/c1-3-15-4-2-14(1)12-13-8-5-9-10(17-7-16-9)6-11(8)18-12/h5-6H,1-4,7H2.
What are the key properties of 6-morpholin-4-yl-[1,3]dioxolo[4,5-f][1,3]benzothiazole?
6-morpholin-4-yl-[1,3]dioxolo[4,5-f][1,3]benzothiazole has a molecular weight of 264.31 g/mol, XLogP of 1.86, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-morpholin-4-yl-[1,3]dioxolo[4,5-f][1,3]benzothiazole is sourced from PubChem (CID 3245604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).