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

C26H24N4O3S2 — CID 146371358

IUPAC3-(3-morpholin-4-ylpropoxy)-N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide
SMILESO=C(Nc1nc2ccc3scnc3c2s1)c1cc2ccccc2cc1OCCCN1CCOCC1
InChIInChI=1S/C26H24N4O3S2/c31-25(29-26-28-20-6-7-22-23(24(20)35-26)27-16-34-22)19-14-17-4-1-2-5-18(17)15-21(19)33-11-3-8-30-9-12-32-13-10-30/h1-2,4-7,14-16H,3,8-13H2,(H,28,29,31)
InChIKeyJJCHJBXPTSMEDL-UHFFFAOYSA-N
MW504.64 g/mol
LogP5.41
Rot. Bonds7

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

3-(3-morpholin-4-ylpropoxy)-N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide (PubChem CID 146371358) has the molecular formula C26H24N4O3S2 and a molecular weight of 504.64 g/mol. Its IUPAC name is 3-(3-morpholin-4-ylpropoxy)-N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide.

Molecular Properties

Compound Name3-(3-morpholin-4-ylpropoxy)-N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide
PubChem CID146371358
Molecular FormulaC26H24N4O3S2
Molecular Weight504.64 g/mol
Exact Mass504.13
IUPAC Name3-(3-morpholin-4-ylpropoxy)-N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide
SMILESO=C(Nc1nc2ccc3scnc3c2s1)c1cc2ccccc2cc1OCCCN1CCOCC1
InChIInChI=1S/C26H24N4O3S2/c31-25(29-26-28-20-6-7-22-23(24(20)35-26)27-16-34-22)19-14-17-4-1-2-5-18(17)15-21(19)33-11-3-8-30-9-12-32-13-10-30/h1-2,4-7,14-16H,3,8-13H2,(H,28,29,31)
InChIKeyJJCHJBXPTSMEDL-UHFFFAOYSA-N
XLogP5.41
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.64
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 3-(3-morpholin-4-ylpropoxy)-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 3-(3-morpholin-4-ylpropoxy)-N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide?
The IUPAC name of 3-(3-morpholin-4-ylpropoxy)-N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide (CID 146371358) is 3-(3-morpholin-4-ylpropoxy)-N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide.
What is the SMILES notation for 3-(3-morpholin-4-ylpropoxy)-N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide?
The canonical SMILES for 3-(3-morpholin-4-ylpropoxy)-N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide is O=C(Nc1nc2ccc3scnc3c2s1)c1cc2ccccc2cc1OCCCN1CCOCC1.
What is the InChIKey of 3-(3-morpholin-4-ylpropoxy)-N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide?
The InChIKey is JJCHJBXPTSMEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O3S2/c31-25(29-26-28-20-6-7-22-23(24(20)35-26)27-16-34-22)19-14-17-4-1-2-5-18(17)15-21(19)33-11-3-8-30-9-12-32-13-10-30/h1-2,4-7,14-16H,3,8-13H2,(H,28,29,31).
What are the key properties of 3-(3-morpholin-4-ylpropoxy)-N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide?
3-(3-morpholin-4-ylpropoxy)-N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide has a molecular weight of 504.64 g/mol, XLogP of 5.41, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-morpholin-4-ylpropoxy)-N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide is sourced from PubChem (CID 146371358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).