(E)-3-[6-(4-chloro-3-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-(3,5-difluorophenyl)prop-2-en-1-one;(E)-3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-(3,5-difluorophenyl)prop-2-en-1-one;(E)-1-(3,5-difluorophenyl)-3-[6-[4-(hydroxymethyl)-3-nitrophenyl]imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-en-1-one;(E)-1-(3,5-difluorophenyl)-3-[6-[4-(hydroxymethyl)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-en-1-one;(E)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-1-(3,4-dimethylphenyl)prop-2-en-1-one

C100H66Cl2F8N12O11S5 — CID 160663621

About (E)-3-[6-(4-chloro-3-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-(3,5-difluorophenyl)prop-2-en-1-one;(E)-3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-(3,5-difluorophenyl)prop-2-en-1-one;(E)-1-(3,5-difluorophenyl)-3-[6-[4-(hydroxymethyl)-3-nitrophenyl]imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-en-1-one;(E)-1-(3,5-difluorophenyl)-3-[6-[4-(hydroxymethyl)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-en-1-one;(E)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-1-(3,4-dimethylphenyl)prop-2-en-1-one

(E)-3-[6-(4-chloro-3-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-(3,5-difluorophenyl)prop-2-en-1-one;(E)-3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-(3,5-difluorophenyl)prop-2-en-1-one;(E)-1-(3,5-difluorophenyl)-3-[6-[4-(hydroxymethyl)-3-nitrophenyl]imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-en-1-one;(E)-1-(3,5-difluorophenyl)-3-[6-[4-(hydroxymethyl)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-en-1-one;(E)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-1-(3,4-dimethylphenyl)prop-2-en-1-one (PubChem CID 160663621) has the molecular formula C100H66Cl2F8N12O11S5 and a molecular weight of 1994.93 g/mol. Its IUPAC name is (E)-3-[6-(4-chloro-3-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-(3,5-difluorophenyl)prop-2-en-1-one;(E)-3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-(3,5-difluorophenyl)prop-2-en-1-one;(E)-1-(3,5-difluorophenyl)-3-[6-[4-(hydroxymethyl)-3-nitrophenyl]imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-en-1-one;(E)-1-(3,5-difluorophenyl)-3-[6-[4-(hydroxymethyl)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-en-1-one;(E)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-1-(3,4-dimethylphenyl)prop-2-en-1-one.

Molecular Properties

• Compound Name: (E)-3-[6-(4-chloro-3-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-(3,5-difluorophenyl)prop-2-en-1-one;(E)-3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-(3,5-difluorophenyl)prop-2-en-1-one;(E)-1-(3,5-difluorophenyl)-3-[6-[4-(hydroxymethyl)-3-nitrophenyl]imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-en-1-one;(E)-1-(3,5-difluorophenyl)-3-[6-[4-(hydroxymethyl)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-en-1-one;(E)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-1-(3,4-dimethylphenyl)prop-2-en-1-one
• PubChem CID: 160663621
• Molecular Formula: C100H66Cl2F8N12O11S5
• Molecular Weight: 1994.93 g/mol
• Exact Mass: 1992.28
• IUPAC Name: (E)-3-[6-(4-chloro-3-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-(3,5-difluorophenyl)prop-2-en-1-one;(E)-3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-(3,5-difluorophenyl)prop-2-en-1-one;(E)-1-(3,5-difluorophenyl)-3-[6-[4-(hydroxymethyl)-3-nitrophenyl]imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-en-1-one;(E)-1-(3,5-difluorophenyl)-3-[6-[4-(hydroxymethyl)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-en-1-one;(E)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-1-(3,4-dimethylphenyl)prop-2-en-1-one
• SMILES: Cc1cn2c(/C=C/C(=O)c3ccc(C)c(C)c3)c(C)nc2s1.O=C(/C=C/c1c(-c2ccc(CO)c([N+](=O)[O-])c2)nc2sccn12)c1cc(F)cc(F)c1.O=C(/C=C/c1c(-c2ccc(CO)cc2)nc2sccn12)c1cc(F)cc(F)c1.O=C(/C=C/c1c(-c2ccc(Cl)c([N+](=O)[O-])c2)nc2sccn12)c1cc(F)cc(F)c1.O=C(/C=C/c1c(-c2ccc(Cl)cc2)nc2sccn12)c1cc(F)cc(F)c1
• InChI: InChI=1S/C21H13F2N3O4S.C21H14F2N2O2S.C20H10ClF2N3O3S.C20H11ClF2N2OS.C18H18N2OS/c22-15-7-14(8-16(23)10-15)19(28)4-3-17-20(24-21-25(17)5-6-31-21)12-1-2-13(11-27)18(9-12)26(29)30;22-16-9-15(10-17(23)11-16)19(27)6-5-18-20(24-21-25(18)7-8-28-21)14-3-1-13(12-26)2-4-14;21-15-2-1-11(9-17(15)26(28)29)19-16(25-5-6-30-20(25)24-19)3-4-18(27)12-7-13(22)10-14(23)8-12;21-14-3-1-12(2-4-14)19-17(25-7-8-27-20(25)24-19)5-6-18(26)13-9-15(22)11-16(23)10-13;1-11-5-6-15(9-12(11)2)17(21)8-7-16-14(4)19-18-20(16)10-13(3)22-18/h1-10,27H,11H2;1-11,26H,12H2;1-10H;1-11H;5-10H,1-4H3/b4-3+;6-5+;4-3+;6-5+;8-7+
• InChIKey: RLZRJTHJWFFJES-DLUVNWICSA-N
• XLogP: 25.58
• TPSA: 298.59 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 26
• Rotatable Bonds: 23
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1994.93
LogP ≤ 5	25.58
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (E)-3-[6-(4-chloro-3-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-(3,5-difluorophenyl)prop-2-en-1-one;(E)-3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-(3,5-difluorophenyl)prop-2-en-1-one;(E)-1-(3,5-difluorophenyl)-3-[6-[4-(hydroxymethyl)-3-nitrophenyl]imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-en-1-one;(E)-1-(3,5-difluorophenyl)-3-[6-[4-(hydroxymethyl)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-en-1-one;(E)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-1-(3,4-dimethylphenyl)prop-2-en-1-one?

The IUPAC name of (E)-3-[6-(4-chloro-3-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-(3,5-difluorophenyl)prop-2-en-1-one;(E)-3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-(3,5-difluorophenyl)prop-2-en-1-one;(E)-1-(3,5-difluorophenyl)-3-[6-[4-(hydroxymethyl)-3-nitrophenyl]imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-en-1-one;(E)-1-(3,5-difluorophenyl)-3-[6-[4-(hydroxymethyl)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-en-1-one;(E)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-1-(3,4-dimethylphenyl)prop-2-en-1-one (CID 160663621) is (E)-3-[6-(4-chloro-3-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-(3,5-difluorophenyl)prop-2-en-1-one;(E)-3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-(3,5-difluorophenyl)prop-2-en-1-one;(E)-1-(3,5-difluorophenyl)-3-[6-[4-(hydroxymethyl)-3-nitrophenyl]imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-en-1-one;(E)-1-(3,5-difluorophenyl)-3-[6-[4-(hydroxymethyl)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-en-1-one;(E)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-1-(3,4-dimethylphenyl)prop-2-en-1-one.

What is the SMILES notation for (E)-3-[6-(4-chloro-3-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-(3,5-difluorophenyl)prop-2-en-1-one;(E)-3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-(3,5-difluorophenyl)prop-2-en-1-one;(E)-1-(3,5-difluorophenyl)-3-[6-[4-(hydroxymethyl)-3-nitrophenyl]imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-en-1-one;(E)-1-(3,5-difluorophenyl)-3-[6-[4-(hydroxymethyl)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-en-1-one;(E)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-1-(3,4-dimethylphenyl)prop-2-en-1-one?

The canonical SMILES for (E)-3-[6-(4-chloro-3-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-(3,5-difluorophenyl)prop-2-en-1-one;(E)-3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-(3,5-difluorophenyl)prop-2-en-1-one;(E)-1-(3,5-difluorophenyl)-3-[6-[4-(hydroxymethyl)-3-nitrophenyl]imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-en-1-one;(E)-1-(3,5-difluorophenyl)-3-[6-[4-(hydroxymethyl)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-en-1-one;(E)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-1-(3,4-dimethylphenyl)prop-2-en-1-one is Cc1cn2c(/C=C/C(=O)c3ccc(C)c(C)c3)c(C)nc2s1.O=C(/C=C/c1c(-c2ccc(CO)c([N+](=O)[O-])c2)nc2sccn12)c1cc(F)cc(F)c1.O=C(/C=C/c1c(-c2ccc(CO)cc2)nc2sccn12)c1cc(F)cc(F)c1.O=C(/C=C/c1c(-c2ccc(Cl)c([N+](=O)[O-])c2)nc2sccn12)c1cc(F)cc(F)c1.O=C(/C=C/c1c(-c2ccc(Cl)cc2)nc2sccn12)c1cc(F)cc(F)c1.

What is the InChIKey of (E)-3-[6-(4-chloro-3-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-(3,5-difluorophenyl)prop-2-en-1-one;(E)-3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-(3,5-difluorophenyl)prop-2-en-1-one;(E)-1-(3,5-difluorophenyl)-3-[6-[4-(hydroxymethyl)-3-nitrophenyl]imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-en-1-one;(E)-1-(3,5-difluorophenyl)-3-[6-[4-(hydroxymethyl)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-en-1-one;(E)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-1-(3,4-dimethylphenyl)prop-2-en-1-one?

The InChIKey is RLZRJTHJWFFJES-DLUVNWICSA-N. The full InChI is InChI=1S/C21H13F2N3O4S.C21H14F2N2O2S.C20H10ClF2N3O3S.C20H11ClF2N2OS.C18H18N2OS/c22-15-7-14(8-16(23)10-15)19(28)4-3-17-20(24-21-25(17)5-6-31-21)12-1-2-13(11-27)18(9-12)26(29)30;22-16-9-15(10-17(23)11-16)19(27)6-5-18-20(24-21-25(18)7-8-28-21)14-3-1-13(12-26)2-4-14;21-15-2-1-11(9-17(15)26(28)29)19-16(25-5-6-30-20(25)24-19)3-4-18(27)12-7-13(22)10-14(23)8-12;21-14-3-1-12(2-4-14)19-17(25-7-8-27-20(25)24-19)5-6-18(26)13-9-15(22)11-16(23)10-13;1-11-5-6-15(9-12(11)2)17(21)8-7-16-14(4)19-18-20(16)10-13(3)22-18/h1-10,27H,11H2;1-11,26H,12H2;1-10H;1-11H;5-10H,1-4H3/b4-3+;6-5+;4-3+;6-5+;8-7+.

What are the key properties of (E)-3-[6-(4-chloro-3-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-(3,5-difluorophenyl)prop-2-en-1-one;(E)-3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-(3,5-difluorophenyl)prop-2-en-1-one;(E)-1-(3,5-difluorophenyl)-3-[6-[4-(hydroxymethyl)-3-nitrophenyl]imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-en-1-one;(E)-1-(3,5-difluorophenyl)-3-[6-[4-(hydroxymethyl)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-en-1-one;(E)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-1-(3,4-dimethylphenyl)prop-2-en-1-one?

(E)-3-[6-(4-chloro-3-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-(3,5-difluorophenyl)prop-2-en-1-one;(E)-3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-(3,5-difluorophenyl)prop-2-en-1-one;(E)-1-(3,5-difluorophenyl)-3-[6-[4-(hydroxymethyl)-3-nitrophenyl]imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-en-1-one;(E)-1-(3,5-difluorophenyl)-3-[6-[4-(hydroxymethyl)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-en-1-one;(E)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-1-(3,4-dimethylphenyl)prop-2-en-1-one has a molecular weight of 1994.93 g/mol, XLogP of 25.58, 23 rotatable bonds, 2 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-3-[6-(4-chloro-3-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-(3,5-difluorophenyl)prop-2-en-1-one;(E)-3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-(3,5-difluorophenyl)prop-2-en-1-one;(E)-1-(3,5-difluorophenyl)-3-[6-[4-(hydroxymethyl)-3-nitrophenyl]imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-en-1-one;(E)-1-(3,5-difluorophenyl)-3-[6-[4-(hydroxymethyl)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-en-1-one;(E)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-1-(3,4-dimethylphenyl)prop-2-en-1-one is sourced from PubChem (CID 160663621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).