6-(2-morpholin-4-ylethoxy)-N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide

C25H22N4O3S2 — CID 118507144

IUPAC6-(2-morpholin-4-ylethoxy)-N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide
SMILESO=C(Nc1nc2ccc3scnc3c2s1)c1ccc2cc(OCCN3CCOCC3)ccc2c1
InChIInChI=1S/C25H22N4O3S2/c30-24(28-25-27-20-5-6-21-22(23(20)34-25)26-15-33-21)18-2-1-17-14-19(4-3-16(17)13-18)32-12-9-29-7-10-31-11-8-29/h1-6,13-15H,7-12H2,(H,27,28,30)
InChIKeyMCHYHOBLVKGBJD-UHFFFAOYSA-N
MW490.61 g/mol
LogP5.02
Rot. Bonds6

About 6-(2-morpholin-4-ylethoxy)-N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide

6-(2-morpholin-4-ylethoxy)-N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide (PubChem CID 118507144) has the molecular formula C25H22N4O3S2 and a molecular weight of 490.61 g/mol. Its IUPAC name is 6-(2-morpholin-4-ylethoxy)-N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide.

Molecular Properties

Compound Name6-(2-morpholin-4-ylethoxy)-N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide
PubChem CID118507144
Molecular FormulaC25H22N4O3S2
Molecular Weight490.61 g/mol
Exact Mass490.11
IUPAC Name6-(2-morpholin-4-ylethoxy)-N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide
SMILESO=C(Nc1nc2ccc3scnc3c2s1)c1ccc2cc(OCCN3CCOCC3)ccc2c1
InChIInChI=1S/C25H22N4O3S2/c30-24(28-25-27-20-5-6-21-22(23(20)34-25)26-15-33-21)18-2-1-17-14-19(4-3-16(17)13-18)32-12-9-29-7-10-31-11-8-29/h1-6,13-15H,7-12H2,(H,27,28,30)
InChIKeyMCHYHOBLVKGBJD-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

Analyze 6-(2-morpholin-4-ylethoxy)-N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(2-morpholin-4-ylethoxy)-N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide?
The IUPAC name of 6-(2-morpholin-4-ylethoxy)-N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide (CID 118507144) is 6-(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 6-(2-morpholin-4-ylethoxy)-N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide?
The canonical SMILES for 6-(2-morpholin-4-ylethoxy)-N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide is O=C(Nc1nc2ccc3scnc3c2s1)c1ccc2cc(OCCN3CCOCC3)ccc2c1.
What is the InChIKey of 6-(2-morpholin-4-ylethoxy)-N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide?
The InChIKey is MCHYHOBLVKGBJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O3S2/c30-24(28-25-27-20-5-6-21-22(23(20)34-25)26-15-33-21)18-2-1-17-14-19(4-3-16(17)13-18)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 6-(2-morpholin-4-ylethoxy)-N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide?
6-(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 6-(2-morpholin-4-ylethoxy)-N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide is sourced from PubChem (CID 118507144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).