3-chloro-5-methyl-N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)benzamide;N,3-dimethyl-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)benzamide;N-methyl-2-(4-methylphenoxy)-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)acetamide;N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)-[1,3]dioxolo[4,5-b]pyridine-6-carboxamide;N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide;N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)quinoline-3-carboxamide

C105H71ClN20O9S12 — CID 158469332

IUPAC3-chloro-5-methyl-N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)benzamide;N,3-dimethyl-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)benzamide;N-methyl-2-(4-methylphenoxy)-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)acetamide;N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)-[1,3]dioxolo[4,5-b]pyridine-6-carboxamide;N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide;N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)quinoline-3-carboxamide
SMILESCc1cc(Cl)cc(C(=O)Nc2nc3ccc4scnc4c3s2)c1.Cc1ccc(OCC(=O)N(C)c2nc3ccc4sc(C)nc4c3s2)cc1.Cc1cccc(C(=O)N(C)c2nc3ccc4sc(C)nc4c3s2)c1.O=C(Nc1nc2ccc3scnc3c2s1)c1ccc2ccccc2c1.O=C(Nc1nc2ccc3scnc3c2s1)c1cnc2c(c1)OCO2.O=C(Nc1nc2ccc3scnc3c2s1)c1cnc2ccccc2c1
InChIInChI=1S/C19H17N3O2S2.C19H11N3OS2.C18H10N4OS2.C18H15N3OS2.C16H10ClN3OS2.C15H8N4O3S2/c1-11-4-6-13(7-5-11)24-10-16(23)22(3)19-21-14-8-9-15-17(18(14)26-19)20-12(2)25-15;23-18(13-6-5-11-3-1-2-4-12(11)9-13)22-19-21-14-7-8-15-16(17(14)25-19)20-10-24-15;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;1-10-5-4-6-12(9-10)17(22)21(3)18-20-13-7-8-14-15(16(13)24-18)19-11(2)23-14;1-8-4-9(6-10(17)5-8)15(21)20-16-19-11-2-3-12-13(14(11)23-16)18-7-22-12;20-13(7-3-9-14(16-4-7)22-6-21-9)19-15-18-8-1-2-10-11(12(8)24-15)17-5-23-10/h4-9H,10H2,1-3H3;1-10H,(H,21,22,23);1-9H,(H,21,22,23);4-9H,1-3H3;2-7H,1H3,(H,19,20,21);1-5H,6H2,(H,18,19,20)
InChIKeyHGDRBJFGISYKFW-UHFFFAOYSA-N
MW2177.11 g/mol
LogP27.78
Rot. Bonds14

About 3-chloro-5-methyl-N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)benzamide;N,3-dimethyl-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)benzamide;N-methyl-2-(4-methylphenoxy)-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)acetamide;N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)-[1,3]dioxolo[4,5-b]pyridine-6-carboxamide;N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide;N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)quinoline-3-carboxamide

3-chloro-5-methyl-N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)benzamide;N,3-dimethyl-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)benzamide;N-methyl-2-(4-methylphenoxy)-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)acetamide;N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)-[1,3]dioxolo[4,5-b]pyridine-6-carboxamide;N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide;N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)quinoline-3-carboxamide (PubChem CID 158469332) has the molecular formula C105H71ClN20O9S12 and a molecular weight of 2177.11 g/mol. Its IUPAC name is 3-chloro-5-methyl-N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)benzamide;N,3-dimethyl-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)benzamide;N-methyl-2-(4-methylphenoxy)-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)acetamide;N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)-[1,3]dioxolo[4,5-b]pyridine-6-carboxamide;N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide;N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)quinoline-3-carboxamide.

Molecular Properties

Compound Name3-chloro-5-methyl-N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)benzamide;N,3-dimethyl-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)benzamide;N-methyl-2-(4-methylphenoxy)-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)acetamide;N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)-[1,3]dioxolo[4,5-b]pyridine-6-carboxamide;N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide;N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)quinoline-3-carboxamide
PubChem CID158469332
Molecular FormulaC105H71ClN20O9S12
Molecular Weight2177.11 g/mol
Exact Mass2174.20
IUPAC Name3-chloro-5-methyl-N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)benzamide;N,3-dimethyl-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)benzamide;N-methyl-2-(4-methylphenoxy)-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)acetamide;N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)-[1,3]dioxolo[4,5-b]pyridine-6-carboxamide;N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide;N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)quinoline-3-carboxamide
SMILESCc1cc(Cl)cc(C(=O)Nc2nc3ccc4scnc4c3s2)c1.Cc1ccc(OCC(=O)N(C)c2nc3ccc4sc(C)nc4c3s2)cc1.Cc1cccc(C(=O)N(C)c2nc3ccc4sc(C)nc4c3s2)c1.O=C(Nc1nc2ccc3scnc3c2s1)c1ccc2ccccc2c1.O=C(Nc1nc2ccc3scnc3c2s1)c1cnc2c(c1)OCO2.O=C(Nc1nc2ccc3scnc3c2s1)c1cnc2ccccc2c1
InChIInChI=1S/C19H17N3O2S2.C19H11N3OS2.C18H10N4OS2.C18H15N3OS2.C16H10ClN3OS2.C15H8N4O3S2/c1-11-4-6-13(7-5-11)24-10-16(23)22(3)19-21-14-8-9-15-17(18(14)26-19)20-12(2)25-15;23-18(13-6-5-11-3-1-2-4-12(11)9-13)22-19-21-14-7-8-15-16(17(14)25-19)20-10-24-15;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;1-10-5-4-6-12(9-10)17(22)21(3)18-20-13-7-8-14-15(16(13)24-18)19-11(2)23-14;1-8-4-9(6-10(17)5-8)15(21)20-16-19-11-2-3-12-13(14(11)23-16)18-7-22-12;20-13(7-3-9-14(16-4-7)22-6-21-9)19-15-18-8-1-2-10-11(12(8)24-15)17-5-23-10/h4-9H,10H2,1-3H3;1-10H,(H,21,22,23);1-9H,(H,21,22,23);4-9H,1-3H3;2-7H,1H3,(H,19,20,21);1-5H,6H2,(H,18,19,20)
InChIKeyHGDRBJFGISYKFW-UHFFFAOYSA-N
XLogP27.78
TPSA365.17 Ų
H-Bond Donors4
H-Bond Acceptors35
Rotatable Bonds14
Heavy Atoms147
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002177.11
LogP ≤ 527.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1035

Analyze 3-chloro-5-methyl-N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)benzamide;N,3-dimethyl-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)benzamide;N-methyl-2-(4-methylphenoxy)-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)acetamide;N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)-[1,3]dioxolo[4,5-b]pyridine-6-carboxamide;N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide;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 3-chloro-5-methyl-N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)benzamide;N,3-dimethyl-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)benzamide;N-methyl-2-(4-methylphenoxy)-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)acetamide;N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)-[1,3]dioxolo[4,5-b]pyridine-6-carboxamide;N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide;N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)quinoline-3-carboxamide?
The IUPAC name of 3-chloro-5-methyl-N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)benzamide;N,3-dimethyl-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)benzamide;N-methyl-2-(4-methylphenoxy)-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)acetamide;N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)-[1,3]dioxolo[4,5-b]pyridine-6-carboxamide;N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide;N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)quinoline-3-carboxamide (CID 158469332) is 3-chloro-5-methyl-N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)benzamide;N,3-dimethyl-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)benzamide;N-methyl-2-(4-methylphenoxy)-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)acetamide;N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)-[1,3]dioxolo[4,5-b]pyridine-6-carboxamide;N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide;N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)quinoline-3-carboxamide.
What is the SMILES notation for 3-chloro-5-methyl-N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)benzamide;N,3-dimethyl-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)benzamide;N-methyl-2-(4-methylphenoxy)-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)acetamide;N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)-[1,3]dioxolo[4,5-b]pyridine-6-carboxamide;N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide;N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)quinoline-3-carboxamide?
The canonical SMILES for 3-chloro-5-methyl-N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)benzamide;N,3-dimethyl-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)benzamide;N-methyl-2-(4-methylphenoxy)-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)acetamide;N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)-[1,3]dioxolo[4,5-b]pyridine-6-carboxamide;N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide;N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)quinoline-3-carboxamide is Cc1cc(Cl)cc(C(=O)Nc2nc3ccc4scnc4c3s2)c1.Cc1ccc(OCC(=O)N(C)c2nc3ccc4sc(C)nc4c3s2)cc1.Cc1cccc(C(=O)N(C)c2nc3ccc4sc(C)nc4c3s2)c1.O=C(Nc1nc2ccc3scnc3c2s1)c1ccc2ccccc2c1.O=C(Nc1nc2ccc3scnc3c2s1)c1cnc2c(c1)OCO2.O=C(Nc1nc2ccc3scnc3c2s1)c1cnc2ccccc2c1.
What is the InChIKey of 3-chloro-5-methyl-N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)benzamide;N,3-dimethyl-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)benzamide;N-methyl-2-(4-methylphenoxy)-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)acetamide;N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)-[1,3]dioxolo[4,5-b]pyridine-6-carboxamide;N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide;N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)quinoline-3-carboxamide?
The InChIKey is HGDRBJFGISYKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2S2.C19H11N3OS2.C18H10N4OS2.C18H15N3OS2.C16H10ClN3OS2.C15H8N4O3S2/c1-11-4-6-13(7-5-11)24-10-16(23)22(3)19-21-14-8-9-15-17(18(14)26-19)20-12(2)25-15;23-18(13-6-5-11-3-1-2-4-12(11)9-13)22-19-21-14-7-8-15-16(17(14)25-19)20-10-24-15;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;1-10-5-4-6-12(9-10)17(22)21(3)18-20-13-7-8-14-15(16(13)24-18)19-11(2)23-14;1-8-4-9(6-10(17)5-8)15(21)20-16-19-11-2-3-12-13(14(11)23-16)18-7-22-12;20-13(7-3-9-14(16-4-7)22-6-21-9)19-15-18-8-1-2-10-11(12(8)24-15)17-5-23-10/h4-9H,10H2,1-3H3;1-10H,(H,21,22,23);1-9H,(H,21,22,23);4-9H,1-3H3;2-7H,1H3,(H,19,20,21);1-5H,6H2,(H,18,19,20).
What are the key properties of 3-chloro-5-methyl-N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)benzamide;N,3-dimethyl-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)benzamide;N-methyl-2-(4-methylphenoxy)-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)acetamide;N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)-[1,3]dioxolo[4,5-b]pyridine-6-carboxamide;N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide;N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)quinoline-3-carboxamide?
3-chloro-5-methyl-N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)benzamide;N,3-dimethyl-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)benzamide;N-methyl-2-(4-methylphenoxy)-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)acetamide;N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)-[1,3]dioxolo[4,5-b]pyridine-6-carboxamide;N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide;N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)quinoline-3-carboxamide has a molecular weight of 2177.11 g/mol, XLogP of 27.78, 14 rotatable bonds, 4 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-methyl-N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)benzamide;N,3-dimethyl-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)benzamide;N-methyl-2-(4-methylphenoxy)-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)acetamide;N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)-[1,3]dioxolo[4,5-b]pyridine-6-carboxamide;N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide;N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)quinoline-3-carboxamide is sourced from PubChem (CID 158469332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).