N-[2-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-1,3-thiazol-5-yl]-2-fluorobenzamide;bis(N-[2-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-1,3-thiazol-5-yl]-2,6-difluorobenzamide);bis(N-[2-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-1,3-thiazol-5-yl]-2-fluorobenzamide)

C90H53ClF15N11O14S5 — CID 161375568

About N-[2-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-1,3-thiazol-5-yl]-2-fluorobenzamide;bis(N-[2-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-1,3-thiazol-5-yl]-2,6-difluorobenzamide);bis(N-[2-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-1,3-thiazol-5-yl]-2-fluorobenzamide)

N-[2-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-1,3-thiazol-5-yl]-2-fluorobenzamide;bis(N-[2-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-1,3-thiazol-5-yl]-2,6-difluorobenzamide);bis(N-[2-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-1,3-thiazol-5-yl]-2-fluorobenzamide) (PubChem CID 161375568) has the molecular formula C90H53ClF15N11O14S5 and a molecular weight of 1993.23 g/mol. Its IUPAC name is N-[2-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-1,3-thiazol-5-yl]-2-fluorobenzamide;bis(N-[2-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-1,3-thiazol-5-yl]-2,6-difluorobenzamide);bis(N-[2-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-1,3-thiazol-5-yl]-2-fluorobenzamide).

Molecular Properties

• Compound Name: N-[2-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-1,3-thiazol-5-yl]-2-fluorobenzamide;bis(N-[2-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-1,3-thiazol-5-yl]-2,6-difluorobenzamide);bis(N-[2-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-1,3-thiazol-5-yl]-2-fluorobenzamide)
• PubChem CID: 161375568
• Molecular Formula: C90H53ClF15N11O14S5
• Molecular Weight: 1993.23 g/mol
• Exact Mass: 1991.18
• IUPAC Name: N-[2-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-1,3-thiazol-5-yl]-2-fluorobenzamide;bis(N-[2-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-1,3-thiazol-5-yl]-2,6-difluorobenzamide);bis(N-[2-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-1,3-thiazol-5-yl]-2-fluorobenzamide)
• SMILES: Cc1cc2c(cc1-c1ncc(NC(=O)c3c(F)cccc3F)s1)OC(F)(F)O2.Cc1cc2c(cc1-c1ncc(NC(=O)c3c(F)cccc3F)s1)OC(F)(F)O2.Cc1cc2c(cc1-c1ncc(NC(=O)c3ccccc3F)s1)OC(F)(F)O2.Cc1cc2c(cc1-c1ncc(NC(=O)c3ccccc3F)s1)OC(F)(F)O2.Cc1nc2cc(Cl)c(-c3ncc(NC(=O)c4ccccc4F)s3)cc2o1
• InChI: InChI=1S/C18H11ClFN3O2S.2C18H10F4N2O3S.2C18H11F3N2O3S/c1-9-22-14-7-12(19)11(6-15(14)25-9)18-21-8-16(26-18)23-17(24)10-4-2-3-5-13(10)20;2*1-8-5-12-13(27-18(21,22)26-12)6-9(8)17-23-7-14(28-17)24-16(25)15-10(19)3-2-4-11(15)20;2*1-9-6-13-14(26-18(20,21)25-13)7-11(9)17-22-8-15(27-17)23-16(24)10-4-2-3-5-12(10)19/h2-8H,1H3,(H,23,24);2*2-7H,1H3,(H,24,25);2*2-8H,1H3,(H,23,24)
• InChIKey: VRAMJODKOFQVEG-UHFFFAOYSA-N
• XLogP: 24.91
• TPSA: 309.82 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 25
• Rotatable Bonds: 15
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1993.23
LogP ≤ 5	24.91
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-1,3-thiazol-5-yl]-2-fluorobenzamide;bis(N-[2-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-1,3-thiazol-5-yl]-2,6-difluorobenzamide);bis(N-[2-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-1,3-thiazol-5-yl]-2-fluorobenzamide)?

The IUPAC name of N-[2-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-1,3-thiazol-5-yl]-2-fluorobenzamide;bis(N-[2-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-1,3-thiazol-5-yl]-2,6-difluorobenzamide);bis(N-[2-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-1,3-thiazol-5-yl]-2-fluorobenzamide) (CID 161375568) is N-[2-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-1,3-thiazol-5-yl]-2-fluorobenzamide;bis(N-[2-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-1,3-thiazol-5-yl]-2,6-difluorobenzamide);bis(N-[2-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-1,3-thiazol-5-yl]-2-fluorobenzamide).

What is the SMILES notation for N-[2-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-1,3-thiazol-5-yl]-2-fluorobenzamide;bis(N-[2-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-1,3-thiazol-5-yl]-2,6-difluorobenzamide);bis(N-[2-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-1,3-thiazol-5-yl]-2-fluorobenzamide)?

The canonical SMILES for N-[2-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-1,3-thiazol-5-yl]-2-fluorobenzamide;bis(N-[2-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-1,3-thiazol-5-yl]-2,6-difluorobenzamide);bis(N-[2-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-1,3-thiazol-5-yl]-2-fluorobenzamide) is Cc1cc2c(cc1-c1ncc(NC(=O)c3c(F)cccc3F)s1)OC(F)(F)O2.Cc1cc2c(cc1-c1ncc(NC(=O)c3c(F)cccc3F)s1)OC(F)(F)O2.Cc1cc2c(cc1-c1ncc(NC(=O)c3ccccc3F)s1)OC(F)(F)O2.Cc1cc2c(cc1-c1ncc(NC(=O)c3ccccc3F)s1)OC(F)(F)O2.Cc1nc2cc(Cl)c(-c3ncc(NC(=O)c4ccccc4F)s3)cc2o1.

What is the InChIKey of N-[2-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-1,3-thiazol-5-yl]-2-fluorobenzamide;bis(N-[2-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-1,3-thiazol-5-yl]-2,6-difluorobenzamide);bis(N-[2-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-1,3-thiazol-5-yl]-2-fluorobenzamide)?

The InChIKey is VRAMJODKOFQVEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClFN3O2S.2C18H10F4N2O3S.2C18H11F3N2O3S/c1-9-22-14-7-12(19)11(6-15(14)25-9)18-21-8-16(26-18)23-17(24)10-4-2-3-5-13(10)20;2*1-8-5-12-13(27-18(21,22)26-12)6-9(8)17-23-7-14(28-17)24-16(25)15-10(19)3-2-4-11(15)20;2*1-9-6-13-14(26-18(20,21)25-13)7-11(9)17-22-8-15(27-17)23-16(24)10-4-2-3-5-12(10)19/h2-8H,1H3,(H,23,24);2*2-7H,1H3,(H,24,25);2*2-8H,1H3,(H,23,24).

What are the key properties of N-[2-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-1,3-thiazol-5-yl]-2-fluorobenzamide;bis(N-[2-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-1,3-thiazol-5-yl]-2,6-difluorobenzamide);bis(N-[2-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-1,3-thiazol-5-yl]-2-fluorobenzamide)?

N-[2-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-1,3-thiazol-5-yl]-2-fluorobenzamide;bis(N-[2-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-1,3-thiazol-5-yl]-2,6-difluorobenzamide);bis(N-[2-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-1,3-thiazol-5-yl]-2-fluorobenzamide) has a molecular weight of 1993.23 g/mol, XLogP of 24.91, 15 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-1,3-thiazol-5-yl]-2-fluorobenzamide;bis(N-[2-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-1,3-thiazol-5-yl]-2,6-difluorobenzamide);bis(N-[2-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-1,3-thiazol-5-yl]-2-fluorobenzamide) is sourced from PubChem (CID 161375568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).