N-[1-[5-[2-[2,4-bis(trifluoromethyl)phenyl]-1-indazol-5-ylideneethyl]-4-hydroxy-1,3-thiazol-2-yl]piperidin-4-yl]acetamide

C27H23F6N5O2S — CID 137021758

About N-[1-[5-[2-[2,4-bis(trifluoromethyl)phenyl]-1-indazol-5-ylideneethyl]-4-hydroxy-1,3-thiazol-2-yl]piperidin-4-yl]acetamide

N-[1-[5-[2-[2,4-bis(trifluoromethyl)phenyl]-1-indazol-5-ylideneethyl]-4-hydroxy-1,3-thiazol-2-yl]piperidin-4-yl]acetamide (PubChem CID 137021758) has the molecular formula C27H23F6N5O2S and a molecular weight of 595.57 g/mol. Its IUPAC name is N-[1-[5-[2-[2,4-bis(trifluoromethyl)phenyl]-1-indazol-5-ylideneethyl]-4-hydroxy-1,3-thiazol-2-yl]piperidin-4-yl]acetamide.

Molecular Properties

• Compound Name: N-[1-[5-[2-[2,4-bis(trifluoromethyl)phenyl]-1-indazol-5-ylideneethyl]-4-hydroxy-1,3-thiazol-2-yl]piperidin-4-yl]acetamide
• PubChem CID: 137021758
• Molecular Formula: C27H23F6N5O2S
• Molecular Weight: 595.57 g/mol
• Exact Mass: 595.15
• IUPAC Name: N-[1-[5-[2-[2,4-bis(trifluoromethyl)phenyl]-1-indazol-5-ylideneethyl]-4-hydroxy-1,3-thiazol-2-yl]piperidin-4-yl]acetamide
• SMILES: CC(=O)NC1CCN(c2nc(O)c(C(Cc3ccc(C(F)(F)F)cc3C(F)(F)F)=c3ccc4c(c3)C=NN=4)s2)CC1
• InChI: InChI=1S/C27H23F6N5O2S/c1-14(39)35-19-6-8-38(9-7-19)25-36-24(40)23(41-25)20(15-3-5-22-17(10-15)13-34-37-22)11-16-2-4-18(26(28,29)30)12-21(16)27(31,32)33/h2-5,10,12-13,19,40H,6-9,11H2,1H3,(H,35,39)
• InChIKey: RAPYUMYAMMCGOY-UHFFFAOYSA-N
• XLogP: 4.40
• TPSA: 90.18 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	595.57
LogP ≤ 5	4.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-[2-[2,4-bis(trifluoromethyl)phenyl]-1-indazol-5-ylideneethyl]-4-hydroxy-1,3-thiazol-2-yl]piperidin-4-yl]acetamide?

The IUPAC name of N-[1-[5-[2-[2,4-bis(trifluoromethyl)phenyl]-1-indazol-5-ylideneethyl]-4-hydroxy-1,3-thiazol-2-yl]piperidin-4-yl]acetamide (CID 137021758) is N-[1-[5-[2-[2,4-bis(trifluoromethyl)phenyl]-1-indazol-5-ylideneethyl]-4-hydroxy-1,3-thiazol-2-yl]piperidin-4-yl]acetamide.

What is the SMILES notation for N-[1-[5-[2-[2,4-bis(trifluoromethyl)phenyl]-1-indazol-5-ylideneethyl]-4-hydroxy-1,3-thiazol-2-yl]piperidin-4-yl]acetamide?

The canonical SMILES for N-[1-[5-[2-[2,4-bis(trifluoromethyl)phenyl]-1-indazol-5-ylideneethyl]-4-hydroxy-1,3-thiazol-2-yl]piperidin-4-yl]acetamide is CC(=O)NC1CCN(c2nc(O)c(C(Cc3ccc(C(F)(F)F)cc3C(F)(F)F)=c3ccc4c(c3)C=NN=4)s2)CC1.

What is the InChIKey of N-[1-[5-[2-[2,4-bis(trifluoromethyl)phenyl]-1-indazol-5-ylideneethyl]-4-hydroxy-1,3-thiazol-2-yl]piperidin-4-yl]acetamide?

The InChIKey is RAPYUMYAMMCGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23F6N5O2S/c1-14(39)35-19-6-8-38(9-7-19)25-36-24(40)23(41-25)20(15-3-5-22-17(10-15)13-34-37-22)11-16-2-4-18(26(28,29)30)12-21(16)27(31,32)33/h2-5,10,12-13,19,40H,6-9,11H2,1H3,(H,35,39).

What are the key properties of N-[1-[5-[2-[2,4-bis(trifluoromethyl)phenyl]-1-indazol-5-ylideneethyl]-4-hydroxy-1,3-thiazol-2-yl]piperidin-4-yl]acetamide?

N-[1-[5-[2-[2,4-bis(trifluoromethyl)phenyl]-1-indazol-5-ylideneethyl]-4-hydroxy-1,3-thiazol-2-yl]piperidin-4-yl]acetamide has a molecular weight of 595.57 g/mol, XLogP of 4.40, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[5-[2-[2,4-bis(trifluoromethyl)phenyl]-1-indazol-5-ylideneethyl]-4-hydroxy-1,3-thiazol-2-yl]piperidin-4-yl]acetamide is sourced from PubChem (CID 137021758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).