3-(2-morpholin-4-ylethoxy)-N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide

C25H22N4O3S2 — CID 86263401

IUPAC3-(2-morpholin-4-ylethoxy)-N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide
SMILESO=C(Nc1nc2ccc3scnc3c2s1)c1cc2ccccc2cc1OCCN1CCOCC1
InChIInChI=1S/C25H22N4O3S2/c30-24(28-25-27-19-5-6-21-22(23(19)34-25)26-15-33-21)18-13-16-3-1-2-4-17(16)14-20(18)32-12-9-29-7-10-31-11-8-29/h1-6,13-15H,7-12H2,(H,27,28,30)
InChIKeySTIKZBGUTXYPTP-UHFFFAOYSA-N
MW490.61 g/mol
LogP5.02
Rot. Bonds6

About 3-(2-morpholin-4-ylethoxy)-N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide

3-(2-morpholin-4-ylethoxy)-N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide (PubChem CID 86263401) has the molecular formula C25H22N4O3S2 and a molecular weight of 490.61 g/mol. Its IUPAC name is 3-(2-morpholin-4-ylethoxy)-N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide.

Molecular Properties

Compound Name3-(2-morpholin-4-ylethoxy)-N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide
PubChem CID86263401
Molecular FormulaC25H22N4O3S2
Molecular Weight490.61 g/mol
Exact Mass490.11
IUPAC Name3-(2-morpholin-4-ylethoxy)-N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide
SMILESO=C(Nc1nc2ccc3scnc3c2s1)c1cc2ccccc2cc1OCCN1CCOCC1
InChIInChI=1S/C25H22N4O3S2/c30-24(28-25-27-19-5-6-21-22(23(19)34-25)26-15-33-21)18-13-16-3-1-2-4-17(16)14-20(18)32-12-9-29-7-10-31-11-8-29/h1-6,13-15H,7-12H2,(H,27,28,30)
InChIKeySTIKZBGUTXYPTP-UHFFFAOYSA-N
XLogP5.02
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.61
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(2-morpholin-4-ylethoxy)-N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide?
The IUPAC name of 3-(2-morpholin-4-ylethoxy)-N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide (CID 86263401) is 3-(2-morpholin-4-ylethoxy)-N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide.
What is the SMILES notation for 3-(2-morpholin-4-ylethoxy)-N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide?
The canonical SMILES for 3-(2-morpholin-4-ylethoxy)-N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide is O=C(Nc1nc2ccc3scnc3c2s1)c1cc2ccccc2cc1OCCN1CCOCC1.
What is the InChIKey of 3-(2-morpholin-4-ylethoxy)-N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide?
The InChIKey is STIKZBGUTXYPTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O3S2/c30-24(28-25-27-19-5-6-21-22(23(19)34-25)26-15-33-21)18-13-16-3-1-2-4-17(16)14-20(18)32-12-9-29-7-10-31-11-8-29/h1-6,13-15H,7-12H2,(H,27,28,30).
What are the key properties of 3-(2-morpholin-4-ylethoxy)-N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide?
3-(2-morpholin-4-ylethoxy)-N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide has a molecular weight of 490.61 g/mol, XLogP of 5.02, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-morpholin-4-ylethoxy)-N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide is sourced from PubChem (CID 86263401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).