4-[[6-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxy-3-pyridinyl]sulfonyl]morpholine

C19H17N3O4S3 — CID 2564250

IUPAC4-[[6-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxy-3-pyridinyl]sulfonyl]morpholine
SMILESCc1nc2c(cc(Oc3ccc(S(=O)(=O)N4CCOCC4)cn3)c3ccsc32)s1
InChIInChI=1S/C19H17N3O4S3/c1-12-21-18-16(28-12)10-15(14-4-9-27-19(14)18)26-17-3-2-13(11-20-17)29(23,24)22-5-7-25-8-6-22/h2-4,9-11H,5-8H2,1H3
InChIKeyMPSXPWMJSXBEON-UHFFFAOYSA-N
MW447.56 g/mol
LogP4.03
Rot. Bonds4

About 4-[[6-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxy-3-pyridinyl]sulfonyl]morpholine

4-[[6-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxy-3-pyridinyl]sulfonyl]morpholine (PubChem CID 2564250) has the molecular formula C19H17N3O4S3 and a molecular weight of 447.56 g/mol. Its IUPAC name is 4-[[6-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxy-3-pyridinyl]sulfonyl]morpholine.

Molecular Properties

Compound Name4-[[6-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxy-3-pyridinyl]sulfonyl]morpholine
PubChem CID2564250
Molecular FormulaC19H17N3O4S3
Molecular Weight447.56 g/mol
Exact Mass447.04
IUPAC Name4-[[6-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxy-3-pyridinyl]sulfonyl]morpholine
SMILESCc1nc2c(cc(Oc3ccc(S(=O)(=O)N4CCOCC4)cn3)c3ccsc32)s1
InChIInChI=1S/C19H17N3O4S3/c1-12-21-18-16(28-12)10-15(14-4-9-27-19(14)18)26-17-3-2-13(11-20-17)29(23,24)22-5-7-25-8-6-22/h2-4,9-11H,5-8H2,1H3
InChIKeyMPSXPWMJSXBEON-UHFFFAOYSA-N
XLogP4.03
TPSA81.62 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.56
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[[6-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxy-3-pyridinyl]sulfonyl]morpholine?
The IUPAC name of 4-[[6-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxy-3-pyridinyl]sulfonyl]morpholine (CID 2564250) is 4-[[6-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxy-3-pyridinyl]sulfonyl]morpholine.
What is the SMILES notation for 4-[[6-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxy-3-pyridinyl]sulfonyl]morpholine?
The canonical SMILES for 4-[[6-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxy-3-pyridinyl]sulfonyl]morpholine is Cc1nc2c(cc(Oc3ccc(S(=O)(=O)N4CCOCC4)cn3)c3ccsc32)s1.
What is the InChIKey of 4-[[6-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxy-3-pyridinyl]sulfonyl]morpholine?
The InChIKey is MPSXPWMJSXBEON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4S3/c1-12-21-18-16(28-12)10-15(14-4-9-27-19(14)18)26-17-3-2-13(11-20-17)29(23,24)22-5-7-25-8-6-22/h2-4,9-11H,5-8H2,1H3.
What are the key properties of 4-[[6-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxy-3-pyridinyl]sulfonyl]morpholine?
4-[[6-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxy-3-pyridinyl]sulfonyl]morpholine has a molecular weight of 447.56 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxy-3-pyridinyl]sulfonyl]morpholine is sourced from PubChem (CID 2564250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).