2-[4-(2-acetyl-1,3-thiazol-5-yl)-5-methyl-1,3-thiazol-2-yl]-1-(2,6-difluorophenyl)ethanone;5-chloro-N-[5-(4-cyclohexylpiperazin-1-yl)-4-(2-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-6-(hydroxymethoxy)pyridine-3-carboxamide;1-(2,6-difluorophenyl)-2-[4-(4-methyl-1,3-oxazol-5-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanone;1-(2,6-difluorophenyl)-2-[4-(1,3-oxazol-5-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanone;N-[4-(4-methyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide

C107H89ClF12N18O11S9 — CID 162091006

About 2-[4-(2-acetyl-1,3-thiazol-5-yl)-5-methyl-1,3-thiazol-2-yl]-1-(2,6-difluorophenyl)ethanone;5-chloro-N-[5-(4-cyclohexylpiperazin-1-yl)-4-(2-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-6-(hydroxymethoxy)pyridine-3-carboxamide;1-(2,6-difluorophenyl)-2-[4-(4-methyl-1,3-oxazol-5-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanone;1-(2,6-difluorophenyl)-2-[4-(1,3-oxazol-5-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanone;N-[4-(4-methyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide

2-[4-(2-acetyl-1,3-thiazol-5-yl)-5-methyl-1,3-thiazol-2-yl]-1-(2,6-difluorophenyl)ethanone;5-chloro-N-[5-(4-cyclohexylpiperazin-1-yl)-4-(2-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-6-(hydroxymethoxy)pyridine-3-carboxamide;1-(2,6-difluorophenyl)-2-[4-(4-methyl-1,3-oxazol-5-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanone;1-(2,6-difluorophenyl)-2-[4-(1,3-oxazol-5-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanone;N-[4-(4-methyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide (PubChem CID 162091006) has the molecular formula C107H89ClF12N18O11S9 and a molecular weight of 2355.04 g/mol. Its IUPAC name is 2-[4-(2-acetyl-1,3-thiazol-5-yl)-5-methyl-1,3-thiazol-2-yl]-1-(2,6-difluorophenyl)ethanone;5-chloro-N-[5-(4-cyclohexylpiperazin-1-yl)-4-(2-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-6-(hydroxymethoxy)pyridine-3-carboxamide;1-(2,6-difluorophenyl)-2-[4-(4-methyl-1,3-oxazol-5-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanone;1-(2,6-difluorophenyl)-2-[4-(1,3-oxazol-5-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanone;N-[4-(4-methyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide.

Molecular Properties

• Compound Name: 2-[4-(2-acetyl-1,3-thiazol-5-yl)-5-methyl-1,3-thiazol-2-yl]-1-(2,6-difluorophenyl)ethanone;5-chloro-N-[5-(4-cyclohexylpiperazin-1-yl)-4-(2-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-6-(hydroxymethoxy)pyridine-3-carboxamide;1-(2,6-difluorophenyl)-2-[4-(4-methyl-1,3-oxazol-5-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanone;1-(2,6-difluorophenyl)-2-[4-(1,3-oxazol-5-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanone;N-[4-(4-methyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide
• PubChem CID: 162091006
• Molecular Formula: C107H89ClF12N18O11S9
• Molecular Weight: 2355.04 g/mol
• Exact Mass: 2352.39
• IUPAC Name: 2-[4-(2-acetyl-1,3-thiazol-5-yl)-5-methyl-1,3-thiazol-2-yl]-1-(2,6-difluorophenyl)ethanone;5-chloro-N-[5-(4-cyclohexylpiperazin-1-yl)-4-(2-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-6-(hydroxymethoxy)pyridine-3-carboxamide;1-(2,6-difluorophenyl)-2-[4-(4-methyl-1,3-oxazol-5-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanone;1-(2,6-difluorophenyl)-2-[4-(1,3-oxazol-5-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanone;N-[4-(4-methyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide
• SMILES: CC(=O)c1ncc(-c2nc(CC(=O)c3c(F)cccc3F)sc2C)s1.Cc1nc(-c2cnccn2)sc1-c1csc(N(CCCN2CCOCC2)C(=O)c2cccs2)n1.Cc1ncc(-c2nc(NC(=O)c3cnc(OCO)c(Cl)c3)sc2N2CCN(C3CCCCC3)CC2)s1.Cc1ncoc1-c1nc(CC(=O)c2c(F)cccc2F)sc1-c1cccc(C(F)(F)F)c1.O=C(Cc1nc(-c2cnco2)c(-c2cccc(C(F)(F)F)c2)s1)c1c(F)cccc1F
• InChI: InChI=1S/C24H29ClN6O3S2.C23H24N6O2S3.C22H13F5N2O2S.C21H11F5N2O2S.C17H12F2N2O2S2/c1-15-26-13-19(35-15)20-23(31-9-7-30(8-10-31)17-5-3-2-4-6-17)36-24(28-20)29-21(33)16-11-18(25)22(27-12-16)34-14-32;1-16-20(34-21(26-16)17-14-24-5-6-25-17)18-15-33-23(27-18)29(22(30)19-4-2-13-32-19)8-3-7-28-9-11-31-12-10-28;1-11-20(31-10-28-11)19-21(12-4-2-5-13(8-12)22(25,26)27)32-17(29-19)9-16(30)18-14(23)6-3-7-15(18)24;22-13-5-2-6-14(23)18(13)15(29)8-17-28-19(16-9-27-10-30-16)20(31-17)11-3-1-4-12(7-11)21(24,25)26;1-8(22)17-20-7-13(25-17)16-9(2)24-14(21-16)6-12(23)15-10(18)4-3-5-11(15)19/h11-13,17,32H,2-10,14H2,1H3,(H,28,29,33);2,4-6,13-15H,3,7-12H2,1H3;2-8,10H,9H2,1H3;1-7,9-10H,8H2;3-5,7H,6H2,1-2H3
• InChIKey: ZDPLDQCHUHAWBN-UHFFFAOYSA-N
• XLogP: 26.29
• TPSA: 359.95 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 36
• Rotatable Bonds: 30
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2355.04
LogP ≤ 5	26.29
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-acetyl-1,3-thiazol-5-yl)-5-methyl-1,3-thiazol-2-yl]-1-(2,6-difluorophenyl)ethanone;5-chloro-N-[5-(4-cyclohexylpiperazin-1-yl)-4-(2-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-6-(hydroxymethoxy)pyridine-3-carboxamide;1-(2,6-difluorophenyl)-2-[4-(4-methyl-1,3-oxazol-5-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanone;1-(2,6-difluorophenyl)-2-[4-(1,3-oxazol-5-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanone;N-[4-(4-methyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide?

The IUPAC name of 2-[4-(2-acetyl-1,3-thiazol-5-yl)-5-methyl-1,3-thiazol-2-yl]-1-(2,6-difluorophenyl)ethanone;5-chloro-N-[5-(4-cyclohexylpiperazin-1-yl)-4-(2-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-6-(hydroxymethoxy)pyridine-3-carboxamide;1-(2,6-difluorophenyl)-2-[4-(4-methyl-1,3-oxazol-5-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanone;1-(2,6-difluorophenyl)-2-[4-(1,3-oxazol-5-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanone;N-[4-(4-methyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide (CID 162091006) is 2-[4-(2-acetyl-1,3-thiazol-5-yl)-5-methyl-1,3-thiazol-2-yl]-1-(2,6-difluorophenyl)ethanone;5-chloro-N-[5-(4-cyclohexylpiperazin-1-yl)-4-(2-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-6-(hydroxymethoxy)pyridine-3-carboxamide;1-(2,6-difluorophenyl)-2-[4-(4-methyl-1,3-oxazol-5-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanone;1-(2,6-difluorophenyl)-2-[4-(1,3-oxazol-5-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanone;N-[4-(4-methyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide.

What is the SMILES notation for 2-[4-(2-acetyl-1,3-thiazol-5-yl)-5-methyl-1,3-thiazol-2-yl]-1-(2,6-difluorophenyl)ethanone;5-chloro-N-[5-(4-cyclohexylpiperazin-1-yl)-4-(2-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-6-(hydroxymethoxy)pyridine-3-carboxamide;1-(2,6-difluorophenyl)-2-[4-(4-methyl-1,3-oxazol-5-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanone;1-(2,6-difluorophenyl)-2-[4-(1,3-oxazol-5-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanone;N-[4-(4-methyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide?

The canonical SMILES for 2-[4-(2-acetyl-1,3-thiazol-5-yl)-5-methyl-1,3-thiazol-2-yl]-1-(2,6-difluorophenyl)ethanone;5-chloro-N-[5-(4-cyclohexylpiperazin-1-yl)-4-(2-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-6-(hydroxymethoxy)pyridine-3-carboxamide;1-(2,6-difluorophenyl)-2-[4-(4-methyl-1,3-oxazol-5-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanone;1-(2,6-difluorophenyl)-2-[4-(1,3-oxazol-5-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanone;N-[4-(4-methyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide is CC(=O)c1ncc(-c2nc(CC(=O)c3c(F)cccc3F)sc2C)s1.Cc1nc(-c2cnccn2)sc1-c1csc(N(CCCN2CCOCC2)C(=O)c2cccs2)n1.Cc1ncc(-c2nc(NC(=O)c3cnc(OCO)c(Cl)c3)sc2N2CCN(C3CCCCC3)CC2)s1.Cc1ncoc1-c1nc(CC(=O)c2c(F)cccc2F)sc1-c1cccc(C(F)(F)F)c1.O=C(Cc1nc(-c2cnco2)c(-c2cccc(C(F)(F)F)c2)s1)c1c(F)cccc1F.

What is the InChIKey of 2-[4-(2-acetyl-1,3-thiazol-5-yl)-5-methyl-1,3-thiazol-2-yl]-1-(2,6-difluorophenyl)ethanone;5-chloro-N-[5-(4-cyclohexylpiperazin-1-yl)-4-(2-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-6-(hydroxymethoxy)pyridine-3-carboxamide;1-(2,6-difluorophenyl)-2-[4-(4-methyl-1,3-oxazol-5-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanone;1-(2,6-difluorophenyl)-2-[4-(1,3-oxazol-5-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanone;N-[4-(4-methyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide?

The InChIKey is ZDPLDQCHUHAWBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN6O3S2.C23H24N6O2S3.C22H13F5N2O2S.C21H11F5N2O2S.C17H12F2N2O2S2/c1-15-26-13-19(35-15)20-23(31-9-7-30(8-10-31)17-5-3-2-4-6-17)36-24(28-20)29-21(33)16-11-18(25)22(27-12-16)34-14-32;1-16-20(34-21(26-16)17-14-24-5-6-25-17)18-15-33-23(27-18)29(22(30)19-4-2-13-32-19)8-3-7-28-9-11-31-12-10-28;1-11-20(31-10-28-11)19-21(12-4-2-5-13(8-12)22(25,26)27)32-17(29-19)9-16(30)18-14(23)6-3-7-15(18)24;22-13-5-2-6-14(23)18(13)15(29)8-17-28-19(16-9-27-10-30-16)20(31-17)11-3-1-4-12(7-11)21(24,25)26;1-8(22)17-20-7-13(25-17)16-9(2)24-14(21-16)6-12(23)15-10(18)4-3-5-11(15)19/h11-13,17,32H,2-10,14H2,1H3,(H,28,29,33);2,4-6,13-15H,3,7-12H2,1H3;2-8,10H,9H2,1H3;1-7,9-10H,8H2;3-5,7H,6H2,1-2H3.

What are the key properties of 2-[4-(2-acetyl-1,3-thiazol-5-yl)-5-methyl-1,3-thiazol-2-yl]-1-(2,6-difluorophenyl)ethanone;5-chloro-N-[5-(4-cyclohexylpiperazin-1-yl)-4-(2-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-6-(hydroxymethoxy)pyridine-3-carboxamide;1-(2,6-difluorophenyl)-2-[4-(4-methyl-1,3-oxazol-5-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanone;1-(2,6-difluorophenyl)-2-[4-(1,3-oxazol-5-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanone;N-[4-(4-methyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide?

2-[4-(2-acetyl-1,3-thiazol-5-yl)-5-methyl-1,3-thiazol-2-yl]-1-(2,6-difluorophenyl)ethanone;5-chloro-N-[5-(4-cyclohexylpiperazin-1-yl)-4-(2-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-6-(hydroxymethoxy)pyridine-3-carboxamide;1-(2,6-difluorophenyl)-2-[4-(4-methyl-1,3-oxazol-5-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanone;1-(2,6-difluorophenyl)-2-[4-(1,3-oxazol-5-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanone;N-[4-(4-methyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide has a molecular weight of 2355.04 g/mol, XLogP of 26.29, 30 rotatable bonds, 2 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(2-acetyl-1,3-thiazol-5-yl)-5-methyl-1,3-thiazol-2-yl]-1-(2,6-difluorophenyl)ethanone;5-chloro-N-[5-(4-cyclohexylpiperazin-1-yl)-4-(2-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-6-(hydroxymethoxy)pyridine-3-carboxamide;1-(2,6-difluorophenyl)-2-[4-(4-methyl-1,3-oxazol-5-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanone;1-(2,6-difluorophenyl)-2-[4-(1,3-oxazol-5-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanone;N-[4-(4-methyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide is sourced from PubChem (CID 162091006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).