1-[4-(diethylamino)phenyl]-2-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)ethanone;methane;6-(2-piperidin-1-ylethoxy)-N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide;1-(2-piperidin-1-ylethyl)-3-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)urea;N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)quinoline-3-carboxamide

C82H78N16O5S8 — CID 158859661

About 1-[4-(diethylamino)phenyl]-2-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)ethanone;methane;6-(2-piperidin-1-ylethoxy)-N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide;1-(2-piperidin-1-ylethyl)-3-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)urea;N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)quinoline-3-carboxamide

1-[4-(diethylamino)phenyl]-2-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)ethanone;methane;6-(2-piperidin-1-ylethoxy)-N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide;1-(2-piperidin-1-ylethyl)-3-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)urea;N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)quinoline-3-carboxamide (PubChem CID 158859661) has the molecular formula C82H78N16O5S8 and a molecular weight of 1624.17 g/mol. Its IUPAC name is 1-[4-(diethylamino)phenyl]-2-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)ethanone;methane;6-(2-piperidin-1-ylethoxy)-N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide;1-(2-piperidin-1-ylethyl)-3-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)urea;N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)quinoline-3-carboxamide.

Molecular Properties

• Compound Name: 1-[4-(diethylamino)phenyl]-2-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)ethanone;methane;6-(2-piperidin-1-ylethoxy)-N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide;1-(2-piperidin-1-ylethyl)-3-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)urea;N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)quinoline-3-carboxamide
• PubChem CID: 158859661
• Molecular Formula: C82H78N16O5S8
• Molecular Weight: 1624.17 g/mol
• Exact Mass: 1622.41
• IUPAC Name: 1-[4-(diethylamino)phenyl]-2-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)ethanone;methane;6-(2-piperidin-1-ylethoxy)-N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide;1-(2-piperidin-1-ylethyl)-3-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)urea;N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)quinoline-3-carboxamide
• SMILES: C.CCN(CC)c1ccc(C(=O)Cc2nc3ccc4sc(C)nc4c3s2)cc1.O=C(NCCN1CCCCC1)Nc1nc2ccc3scnc3c2s1.O=C(Nc1nc2ccc3scnc3c2s1)c1ccc2cc(OCCN3CCCCC3)ccc2c1.O=C(Nc1nc2ccc3scnc3c2s1)c1cnc2ccccc2c1
• InChI: InChI=1S/C26H24N4O2S2.C21H21N3OS2.C18H10N4OS2.C16H19N5OS2.CH4/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;1-4-24(5-2)15-8-6-14(7-9-15)17(25)12-19-23-16-10-11-18-20(21(16)27-19)22-13(3)26-18;23-17(11-7-10-3-1-2-4-12(10)19-8-11)22-18-21-13-5-6-14-15(16(13)25-18)20-9-24-14;22-15(17-6-9-21-7-2-1-3-8-21)20-16-19-11-4-5-12-13(14(11)24-16)18-10-23-12;/h4-9,14-16H,1-3,10-13H2,(H,28,29,31);6-11H,4-5,12H2,1-3H3;1-9H,(H,21,22,23);4-5,10H,1-3,6-9H2,(H2,17,19,20,22);1H4
• InChIKey: JAMODBMLNAORAG-UHFFFAOYSA-N
• XLogP: 20.52
• TPSA: 251.36 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 25
• Rotatable Bonds: 18
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1624.17
LogP ≤ 5	20.52
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 1-[4-(diethylamino)phenyl]-2-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)ethanone;methane;6-(2-piperidin-1-ylethoxy)-N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide;1-(2-piperidin-1-ylethyl)-3-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)urea;N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)quinoline-3-carboxamide?

The IUPAC name of 1-[4-(diethylamino)phenyl]-2-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)ethanone;methane;6-(2-piperidin-1-ylethoxy)-N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide;1-(2-piperidin-1-ylethyl)-3-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)urea;N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)quinoline-3-carboxamide (CID 158859661) is 1-[4-(diethylamino)phenyl]-2-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)ethanone;methane;6-(2-piperidin-1-ylethoxy)-N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide;1-(2-piperidin-1-ylethyl)-3-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)urea;N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)quinoline-3-carboxamide.

What is the SMILES notation for 1-[4-(diethylamino)phenyl]-2-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)ethanone;methane;6-(2-piperidin-1-ylethoxy)-N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide;1-(2-piperidin-1-ylethyl)-3-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)urea;N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)quinoline-3-carboxamide?

The canonical SMILES for 1-[4-(diethylamino)phenyl]-2-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)ethanone;methane;6-(2-piperidin-1-ylethoxy)-N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide;1-(2-piperidin-1-ylethyl)-3-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)urea;N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)quinoline-3-carboxamide is C.CCN(CC)c1ccc(C(=O)Cc2nc3ccc4sc(C)nc4c3s2)cc1.O=C(NCCN1CCCCC1)Nc1nc2ccc3scnc3c2s1.O=C(Nc1nc2ccc3scnc3c2s1)c1ccc2cc(OCCN3CCCCC3)ccc2c1.O=C(Nc1nc2ccc3scnc3c2s1)c1cnc2ccccc2c1.

What is the InChIKey of 1-[4-(diethylamino)phenyl]-2-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)ethanone;methane;6-(2-piperidin-1-ylethoxy)-N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide;1-(2-piperidin-1-ylethyl)-3-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)urea;N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)quinoline-3-carboxamide?

The InChIKey is JAMODBMLNAORAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O2S2.C21H21N3OS2.C18H10N4OS2.C16H19N5OS2.CH4/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;1-4-24(5-2)15-8-6-14(7-9-15)17(25)12-19-23-16-10-11-18-20(21(16)27-19)22-13(3)26-18;23-17(11-7-10-3-1-2-4-12(10)19-8-11)22-18-21-13-5-6-14-15(16(13)25-18)20-9-24-14;22-15(17-6-9-21-7-2-1-3-8-21)20-16-19-11-4-5-12-13(14(11)24-16)18-10-23-12;/h4-9,14-16H,1-3,10-13H2,(H,28,29,31);6-11H,4-5,12H2,1-3H3;1-9H,(H,21,22,23);4-5,10H,1-3,6-9H2,(H2,17,19,20,22);1H4.

What are the key properties of 1-[4-(diethylamino)phenyl]-2-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)ethanone;methane;6-(2-piperidin-1-ylethoxy)-N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide;1-(2-piperidin-1-ylethyl)-3-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)urea;N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)quinoline-3-carboxamide?

1-[4-(diethylamino)phenyl]-2-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)ethanone;methane;6-(2-piperidin-1-ylethoxy)-N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide;1-(2-piperidin-1-ylethyl)-3-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)urea;N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)quinoline-3-carboxamide has a molecular weight of 1624.17 g/mol, XLogP of 20.52, 18 rotatable bonds, 4 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(diethylamino)phenyl]-2-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)ethanone;methane;6-(2-piperidin-1-ylethoxy)-N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide;1-(2-piperidin-1-ylethyl)-3-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)urea;N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)quinoline-3-carboxamide is sourced from PubChem (CID 158859661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).