2-[4-(2-acetyl-1,3-thiazol-5-yl)-5-methyl-1,3-thiazol-2-yl]-1-(2,6-difluorophenyl)ethanone;tert-butyl N-[5-isoquinolin-6-yl-4-(1,3-oxazol-5-yl)-1,3-thiazol-2-yl]-N-[2-methyl-3-(4-methylphenyl)propyl]carbamate;1-(2,6-difluorophenyl)-2-[4-(3-methylimidazol-4-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanone;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;ethene;N-[4-(4-methyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-N-(morpholin-4-ylmethyl)thiophene-2-carboxamide;sulfane

C136H108F17N19O12S10 — CID 157174043

About 2-[4-(2-acetyl-1,3-thiazol-5-yl)-5-methyl-1,3-thiazol-2-yl]-1-(2,6-difluorophenyl)ethanone;tert-butyl N-[5-isoquinolin-6-yl-4-(1,3-oxazol-5-yl)-1,3-thiazol-2-yl]-N-[2-methyl-3-(4-methylphenyl)propyl]carbamate;1-(2,6-difluorophenyl)-2-[4-(3-methylimidazol-4-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanone;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;ethene;N-[4-(4-methyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-N-(morpholin-4-ylmethyl)thiophene-2-carboxamide;sulfane

2-[4-(2-acetyl-1,3-thiazol-5-yl)-5-methyl-1,3-thiazol-2-yl]-1-(2,6-difluorophenyl)ethanone;tert-butyl N-[5-isoquinolin-6-yl-4-(1,3-oxazol-5-yl)-1,3-thiazol-2-yl]-N-[2-methyl-3-(4-methylphenyl)propyl]carbamate;1-(2,6-difluorophenyl)-2-[4-(3-methylimidazol-4-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanone;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;ethene;N-[4-(4-methyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-N-(morpholin-4-ylmethyl)thiophene-2-carboxamide;sulfane (PubChem CID 157174043) has the molecular formula C136H108F17N19O12S10 and a molecular weight of 2844.12 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;tert-butyl N-[5-isoquinolin-6-yl-4-(1,3-oxazol-5-yl)-1,3-thiazol-2-yl]-N-[2-methyl-3-(4-methylphenyl)propyl]carbamate;1-(2,6-difluorophenyl)-2-[4-(3-methylimidazol-4-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanone;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;ethene;N-[4-(4-methyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-N-(morpholin-4-ylmethyl)thiophene-2-carboxamide;sulfane.

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;tert-butyl N-[5-isoquinolin-6-yl-4-(1,3-oxazol-5-yl)-1,3-thiazol-2-yl]-N-[2-methyl-3-(4-methylphenyl)propyl]carbamate;1-(2,6-difluorophenyl)-2-[4-(3-methylimidazol-4-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanone;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;ethene;N-[4-(4-methyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-N-(morpholin-4-ylmethyl)thiophene-2-carboxamide;sulfane
• PubChem CID: 157174043
• Molecular Formula: C136H108F17N19O12S10
• Molecular Weight: 2844.12 g/mol
• Exact Mass: 2841.54
• IUPAC Name: 2-[4-(2-acetyl-1,3-thiazol-5-yl)-5-methyl-1,3-thiazol-2-yl]-1-(2,6-difluorophenyl)ethanone;tert-butyl N-[5-isoquinolin-6-yl-4-(1,3-oxazol-5-yl)-1,3-thiazol-2-yl]-N-[2-methyl-3-(4-methylphenyl)propyl]carbamate;1-(2,6-difluorophenyl)-2-[4-(3-methylimidazol-4-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanone;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;ethene;N-[4-(4-methyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-N-(morpholin-4-ylmethyl)thiophene-2-carboxamide;sulfane
• SMILES: C=C.CC(=O)c1ncc(-c2nc(CC(=O)c3c(F)cccc3F)sc2C)s1.Cc1ccc(CC(C)CN(C(=O)OC(C)(C)C)c2nc(-c3cnco3)c(-c3ccc4cnccc4c3)s2)cc1.Cc1nc(-c2cnccn2)sc1-c1csc(N(CN2CCOCC2)C(=O)c2cccs2)n1.Cc1ncoc1-c1nc(CC(=O)c2c(F)cccc2F)sc1-c1cccc(C(F)(F)F)c1.Cn1cncc1-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.S
• InChI: InChI=1S/C31H32N4O3S.C22H14F5N3OS.C22H13F5N2O2S.C21H11F5N2O2S.C21H20N6O2S3.C17H12F2N2O2S2.C2H4.H2S/c1-20-6-8-22(9-7-20)14-21(2)18-35(30(36)38-31(3,4)5)29-34-27(26-17-33-19-37-26)28(39-29)24-10-11-25-16-32-13-12-23(25)15-24;1-30-11-28-10-16(30)20-21(12-4-2-5-13(8-12)22(25,26)27)32-18(29-20)9-17(31)19-14(23)6-3-7-15(19)24;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;1-14-18(32-19(24-14)15-11-22-4-5-23-15)16-12-31-21(25-16)27(13-26-6-8-29-9-7-26)20(28)17-3-2-10-30-17;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;1-2;/h6-13,15-17,19,21H,14,18H2,1-5H3;2-8,10-11H,9H2,1H3;2-8,10H,9H2,1H3;1-7,9-10H,8H2;2-5,10-12H,6-9,13H2,1H3;3-5,7H,6H2,1-2H3;1-2H2;1H2
• InChIKey: ANUMQNXPSUENPP-UHFFFAOYSA-N
• XLogP: 35.98
• TPSA: 385.37 Ų
• H-Bond Acceptors: 38
• Rotatable Bonds: 33
• Heavy Atoms: 194
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2844.12
LogP ≤ 5	35.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', '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;tert-butyl N-[5-isoquinolin-6-yl-4-(1,3-oxazol-5-yl)-1,3-thiazol-2-yl]-N-[2-methyl-3-(4-methylphenyl)propyl]carbamate;1-(2,6-difluorophenyl)-2-[4-(3-methylimidazol-4-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanone;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;ethene;N-[4-(4-methyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-N-(morpholin-4-ylmethyl)thiophene-2-carboxamide;sulfane?

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;tert-butyl N-[5-isoquinolin-6-yl-4-(1,3-oxazol-5-yl)-1,3-thiazol-2-yl]-N-[2-methyl-3-(4-methylphenyl)propyl]carbamate;1-(2,6-difluorophenyl)-2-[4-(3-methylimidazol-4-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanone;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;ethene;N-[4-(4-methyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-N-(morpholin-4-ylmethyl)thiophene-2-carboxamide;sulfane (CID 157174043) is 2-[4-(2-acetyl-1,3-thiazol-5-yl)-5-methyl-1,3-thiazol-2-yl]-1-(2,6-difluorophenyl)ethanone;tert-butyl N-[5-isoquinolin-6-yl-4-(1,3-oxazol-5-yl)-1,3-thiazol-2-yl]-N-[2-methyl-3-(4-methylphenyl)propyl]carbamate;1-(2,6-difluorophenyl)-2-[4-(3-methylimidazol-4-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanone;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;ethene;N-[4-(4-methyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-N-(morpholin-4-ylmethyl)thiophene-2-carboxamide;sulfane.

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;tert-butyl N-[5-isoquinolin-6-yl-4-(1,3-oxazol-5-yl)-1,3-thiazol-2-yl]-N-[2-methyl-3-(4-methylphenyl)propyl]carbamate;1-(2,6-difluorophenyl)-2-[4-(3-methylimidazol-4-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanone;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;ethene;N-[4-(4-methyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-N-(morpholin-4-ylmethyl)thiophene-2-carboxamide;sulfane?

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;tert-butyl N-[5-isoquinolin-6-yl-4-(1,3-oxazol-5-yl)-1,3-thiazol-2-yl]-N-[2-methyl-3-(4-methylphenyl)propyl]carbamate;1-(2,6-difluorophenyl)-2-[4-(3-methylimidazol-4-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanone;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;ethene;N-[4-(4-methyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-N-(morpholin-4-ylmethyl)thiophene-2-carboxamide;sulfane is C=C.CC(=O)c1ncc(-c2nc(CC(=O)c3c(F)cccc3F)sc2C)s1.Cc1ccc(CC(C)CN(C(=O)OC(C)(C)C)c2nc(-c3cnco3)c(-c3ccc4cnccc4c3)s2)cc1.Cc1nc(-c2cnccn2)sc1-c1csc(N(CN2CCOCC2)C(=O)c2cccs2)n1.Cc1ncoc1-c1nc(CC(=O)c2c(F)cccc2F)sc1-c1cccc(C(F)(F)F)c1.Cn1cncc1-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.S.

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;tert-butyl N-[5-isoquinolin-6-yl-4-(1,3-oxazol-5-yl)-1,3-thiazol-2-yl]-N-[2-methyl-3-(4-methylphenyl)propyl]carbamate;1-(2,6-difluorophenyl)-2-[4-(3-methylimidazol-4-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanone;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;ethene;N-[4-(4-methyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-N-(morpholin-4-ylmethyl)thiophene-2-carboxamide;sulfane?

The InChIKey is ANUMQNXPSUENPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32N4O3S.C22H14F5N3OS.C22H13F5N2O2S.C21H11F5N2O2S.C21H20N6O2S3.C17H12F2N2O2S2.C2H4.H2S/c1-20-6-8-22(9-7-20)14-21(2)18-35(30(36)38-31(3,4)5)29-34-27(26-17-33-19-37-26)28(39-29)24-10-11-25-16-32-13-12-23(25)15-24;1-30-11-28-10-16(30)20-21(12-4-2-5-13(8-12)22(25,26)27)32-18(29-20)9-17(31)19-14(23)6-3-7-15(19)24;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;1-14-18(32-19(24-14)15-11-22-4-5-23-15)16-12-31-21(25-16)27(13-26-6-8-29-9-7-26)20(28)17-3-2-10-30-17;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;1-2;/h6-13,15-17,19,21H,14,18H2,1-5H3;2-8,10-11H,9H2,1H3;2-8,10H,9H2,1H3;1-7,9-10H,8H2;2-5,10-12H,6-9,13H2,1H3;3-5,7H,6H2,1-2H3;1-2H2;1H2.

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;tert-butyl N-[5-isoquinolin-6-yl-4-(1,3-oxazol-5-yl)-1,3-thiazol-2-yl]-N-[2-methyl-3-(4-methylphenyl)propyl]carbamate;1-(2,6-difluorophenyl)-2-[4-(3-methylimidazol-4-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanone;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;ethene;N-[4-(4-methyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-N-(morpholin-4-ylmethyl)thiophene-2-carboxamide;sulfane?

2-[4-(2-acetyl-1,3-thiazol-5-yl)-5-methyl-1,3-thiazol-2-yl]-1-(2,6-difluorophenyl)ethanone;tert-butyl N-[5-isoquinolin-6-yl-4-(1,3-oxazol-5-yl)-1,3-thiazol-2-yl]-N-[2-methyl-3-(4-methylphenyl)propyl]carbamate;1-(2,6-difluorophenyl)-2-[4-(3-methylimidazol-4-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanone;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;ethene;N-[4-(4-methyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-N-(morpholin-4-ylmethyl)thiophene-2-carboxamide;sulfane has a molecular weight of 2844.12 g/mol, XLogP of 35.98, 33 rotatable bonds, 0 hydrogen bond donors, and 38 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;tert-butyl N-[5-isoquinolin-6-yl-4-(1,3-oxazol-5-yl)-1,3-thiazol-2-yl]-N-[2-methyl-3-(4-methylphenyl)propyl]carbamate;1-(2,6-difluorophenyl)-2-[4-(3-methylimidazol-4-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanone;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;ethene;N-[4-(4-methyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-N-(morpholin-4-ylmethyl)thiophene-2-carboxamide;sulfane is sourced from PubChem (CID 157174043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).