N-[2-(diethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methoxynaphthalene-2-carboxamide

C25H26FN3O2S — CID 24761857

IUPACN-[2-(diethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methoxynaphthalene-2-carboxamide
SMILESCCN(CC)CCN(C(=O)c1cc2ccccc2cc1OC)c1nc2ccc(F)cc2s1
InChIInChI=1S/C25H26FN3O2S/c1-4-28(5-2)12-13-29(25-27-21-11-10-19(26)16-23(21)32-25)24(30)20-14-17-8-6-7-9-18(17)15-22(20)31-3/h6-11,14-16H,4-5,12-13H2,1-3H3
InChIKeyNWCMEBYXDVYBII-UHFFFAOYSA-N
MW451.57 g/mol
LogP5.59
Rot. Bonds8

About N-[2-(diethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methoxynaphthalene-2-carboxamide

N-[2-(diethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methoxynaphthalene-2-carboxamide (PubChem CID 24761857) has the molecular formula C25H26FN3O2S and a molecular weight of 451.57 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methoxynaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methoxynaphthalene-2-carboxamide
PubChem CID24761857
Molecular FormulaC25H26FN3O2S
Molecular Weight451.57 g/mol
Exact Mass451.17
IUPAC NameN-[2-(diethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methoxynaphthalene-2-carboxamide
SMILESCCN(CC)CCN(C(=O)c1cc2ccccc2cc1OC)c1nc2ccc(F)cc2s1
InChIInChI=1S/C25H26FN3O2S/c1-4-28(5-2)12-13-29(25-27-21-11-10-19(26)16-23(21)32-25)24(30)20-14-17-8-6-7-9-18(17)15-22(20)31-3/h6-11,14-16H,4-5,12-13H2,1-3H3
InChIKeyNWCMEBYXDVYBII-UHFFFAOYSA-N
XLogP5.59
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.57
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[2-(diethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methoxynaphthalene-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 N-[2-(diethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methoxynaphthalene-2-carboxamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methoxynaphthalene-2-carboxamide (CID 24761857) is N-[2-(diethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methoxynaphthalene-2-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methoxynaphthalene-2-carboxamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methoxynaphthalene-2-carboxamide is CCN(CC)CCN(C(=O)c1cc2ccccc2cc1OC)c1nc2ccc(F)cc2s1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methoxynaphthalene-2-carboxamide?
The InChIKey is NWCMEBYXDVYBII-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN3O2S/c1-4-28(5-2)12-13-29(25-27-21-11-10-19(26)16-23(21)32-25)24(30)20-14-17-8-6-7-9-18(17)15-22(20)31-3/h6-11,14-16H,4-5,12-13H2,1-3H3.
What are the key properties of N-[2-(diethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methoxynaphthalene-2-carboxamide?
N-[2-(diethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methoxynaphthalene-2-carboxamide has a molecular weight of 451.57 g/mol, XLogP of 5.59, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methoxynaphthalene-2-carboxamide is sourced from PubChem (CID 24761857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).