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

C26H24N4O2S2 — CID 126629272

IUPAC6-(2-piperidin-1-ylethoxy)-N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide
SMILESO=C(Nc1nc2ccc3scnc3c2s1)c1ccc2cc(OCCN3CCCCC3)ccc2c1
InChIInChI=1S/C26H24N4O2S2/c31-25(29-26-28-21-8-9-22-23(24(21)34-26)27-16-33-22)19-5-4-18-15-20(7-6-17(18)14-19)32-13-12-30-10-2-1-3-11-30/h4-9,14-16H,1-3,10-13H2,(H,28,29,31)
InChIKeyHXTATQWQDYJBLP-UHFFFAOYSA-N
MW488.64 g/mol
LogP6.18
Rot. Bonds6

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

6-(2-piperidin-1-ylethoxy)-N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide (PubChem CID 126629272) has the molecular formula C26H24N4O2S2 and a molecular weight of 488.64 g/mol. Its IUPAC name is 6-(2-piperidin-1-ylethoxy)-N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide.

Molecular Properties

Compound Name6-(2-piperidin-1-ylethoxy)-N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide
PubChem CID126629272
Molecular FormulaC26H24N4O2S2
Molecular Weight488.64 g/mol
Exact Mass488.13
IUPAC Name6-(2-piperidin-1-ylethoxy)-N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide
SMILESO=C(Nc1nc2ccc3scnc3c2s1)c1ccc2cc(OCCN3CCCCC3)ccc2c1
InChIInChI=1S/C26H24N4O2S2/c31-25(29-26-28-21-8-9-22-23(24(21)34-26)27-16-33-22)19-5-4-18-15-20(7-6-17(18)14-19)32-13-12-30-10-2-1-3-11-30/h4-9,14-16H,1-3,10-13H2,(H,28,29,31)
InChIKeyHXTATQWQDYJBLP-UHFFFAOYSA-N
XLogP6.18
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.64
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(2-piperidin-1-ylethoxy)-N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide?
The IUPAC name of 6-(2-piperidin-1-ylethoxy)-N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide (CID 126629272) is 6-(2-piperidin-1-ylethoxy)-N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide.
What is the SMILES notation for 6-(2-piperidin-1-ylethoxy)-N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide?
The canonical SMILES for 6-(2-piperidin-1-ylethoxy)-N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide is O=C(Nc1nc2ccc3scnc3c2s1)c1ccc2cc(OCCN3CCCCC3)ccc2c1.
What is the InChIKey of 6-(2-piperidin-1-ylethoxy)-N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide?
The InChIKey is HXTATQWQDYJBLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O2S2/c31-25(29-26-28-21-8-9-22-23(24(21)34-26)27-16-33-22)19-5-4-18-15-20(7-6-17(18)14-19)32-13-12-30-10-2-1-3-11-30/h4-9,14-16H,1-3,10-13H2,(H,28,29,31).
What are the key properties of 6-(2-piperidin-1-ylethoxy)-N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide?
6-(2-piperidin-1-ylethoxy)-N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide has a molecular weight of 488.64 g/mol, XLogP of 6.18, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-piperidin-1-ylethoxy)-N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide is sourced from PubChem (CID 126629272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).