1-[4-(diethylamino)phenyl]-2-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)ethanone;6-(2-morpholin-4-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 — IUPAC name, SMILES, InChIKey & properties

Name: 1-[4-(diethylamino)phenyl]-2-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)ethanone;6-(2-morpholin-4-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 Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About 1-[4-(diethylamino)phenyl]-2-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)ethanone;6-(2-morpholin-4-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;6-(2-morpholin-4-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 159176400) has the molecular formula C80H72N16O6S8 and a molecular weight of 1610.10 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;6-(2-morpholin-4-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;6-(2-morpholin-4-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	159176400
Molecular Formula	C80H72N16O6S8
Molecular Weight	1610.10 g/mol
Exact Mass	1608.36
IUPAC Name	1-[4-(diethylamino)phenyl]-2-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)ethanone;6-(2-morpholin-4-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	CCN(CC)c1ccc(C(=O)Cc2nc3ccc4sc(C)nc4c3s2)cc1.O=C(NCCN1CCCCC1)Nc1nc2ccc3scnc3c2s1.O=C(Nc1nc2ccc3scnc3c2s1)c1ccc2cc(OCCN3CCOCC3)ccc2c1.O=C(Nc1nc2ccc3scnc3c2s1)c1cnc2ccccc2c1
InChI	InChI=1S/C25H22N4O3S2.C21H21N3OS2.C18H10N4OS2.C16H19N5OS2/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;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/h1-6,13-15H,7-12H2,(H,27,28,30);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)
InChIKey	KMIIDQGDVMAKMP-UHFFFAOYSA-N
XLogP	18.73
TPSA	260.59 Å²
H-Bond Donors	4
H-Bond Acceptors	26
Rotatable Bonds	18
Heavy Atoms	110
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1610.10
LogP ≤ 5	18.73
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	26

Analyze 1-[4-(diethylamino)phenyl]-2-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)ethanone;6-(2-morpholin-4-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 with MolForge

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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;6-(2-morpholin-4-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;6-(2-morpholin-4-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 159176400) is 1-[4-(diethylamino)phenyl]-2-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)ethanone;6-(2-morpholin-4-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;6-(2-morpholin-4-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;6-(2-morpholin-4-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 CCN(CC)c1ccc(C(=O)Cc2nc3ccc4sc(C)nc4c3s2)cc1.O=C(NCCN1CCCCC1)Nc1nc2ccc3scnc3c2s1.O=C(Nc1nc2ccc3scnc3c2s1)c1ccc2cc(OCCN3CCOCC3)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;6-(2-morpholin-4-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 KMIIDQGDVMAKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O3S2.C21H21N3OS2.C18H10N4OS2.C16H19N5OS2/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;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/h1-6,13-15H,7-12H2,(H,27,28,30);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).

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;6-(2-morpholin-4-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?

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;6-(2-morpholin-4-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 159176400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).