5-[2-[4-chloro-2-(trifluoromethyl)phenyl]-1-indazol-5-ylideneethyl]-3-[[(2S,4R)-4-fluoropyrrolidin-2-yl]methyl]-4-hydroxy-1,3-thiazol-2-one

C24H19ClF4N4O2S — CID 137154915

About 5-[2-[4-chloro-2-(trifluoromethyl)phenyl]-1-indazol-5-ylideneethyl]-3-[[(2S,4R)-4-fluoropyrrolidin-2-yl]methyl]-4-hydroxy-1,3-thiazol-2-one

5-[2-[4-chloro-2-(trifluoromethyl)phenyl]-1-indazol-5-ylideneethyl]-3-[[(2S,4R)-4-fluoropyrrolidin-2-yl]methyl]-4-hydroxy-1,3-thiazol-2-one (PubChem CID 137154915) has the molecular formula C24H19ClF4N4O2S and a molecular weight of 538.95 g/mol. Its IUPAC name is 5-[2-[4-chloro-2-(trifluoromethyl)phenyl]-1-indazol-5-ylideneethyl]-3-[[(2S,4R)-4-fluoropyrrolidin-2-yl]methyl]-4-hydroxy-1,3-thiazol-2-one.

Molecular Properties

• Compound Name: 5-[2-[4-chloro-2-(trifluoromethyl)phenyl]-1-indazol-5-ylideneethyl]-3-[[(2S,4R)-4-fluoropyrrolidin-2-yl]methyl]-4-hydroxy-1,3-thiazol-2-one
• PubChem CID: 137154915
• Molecular Formula: C24H19ClF4N4O2S
• Molecular Weight: 538.95 g/mol
• Exact Mass: 538.09
• IUPAC Name: 5-[2-[4-chloro-2-(trifluoromethyl)phenyl]-1-indazol-5-ylideneethyl]-3-[[(2S,4R)-4-fluoropyrrolidin-2-yl]methyl]-4-hydroxy-1,3-thiazol-2-one
• SMILES: O=c1sc(C(Cc2ccc(Cl)cc2C(F)(F)F)=c2ccc3c(c2)C=NN=3)c(O)n1C[C@@H]1C[C@@H](F)CN1
• InChI: InChI=1S/C24H19ClF4N4O2S/c25-15-3-1-13(19(7-15)24(27,28)29)6-18(12-2-4-20-14(5-12)9-31-32-20)21-22(34)33(23(35)36-21)11-17-8-16(26)10-30-17/h1-5,7,9,16-17,30,34H,6,8,10-11H2/t16-,17+/m1/s1
• InChIKey: KRCSZVBAGDCXSQ-SJORKVTESA-N
• XLogP: 3.40
• TPSA: 78.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	538.95
LogP ≤ 5	3.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-chloro-2-(trifluoromethyl)phenyl]-1-indazol-5-ylideneethyl]-3-[[(2S,4R)-4-fluoropyrrolidin-2-yl]methyl]-4-hydroxy-1,3-thiazol-2-one?

The IUPAC name of 5-[2-[4-chloro-2-(trifluoromethyl)phenyl]-1-indazol-5-ylideneethyl]-3-[[(2S,4R)-4-fluoropyrrolidin-2-yl]methyl]-4-hydroxy-1,3-thiazol-2-one (CID 137154915) is 5-[2-[4-chloro-2-(trifluoromethyl)phenyl]-1-indazol-5-ylideneethyl]-3-[[(2S,4R)-4-fluoropyrrolidin-2-yl]methyl]-4-hydroxy-1,3-thiazol-2-one.

What is the SMILES notation for 5-[2-[4-chloro-2-(trifluoromethyl)phenyl]-1-indazol-5-ylideneethyl]-3-[[(2S,4R)-4-fluoropyrrolidin-2-yl]methyl]-4-hydroxy-1,3-thiazol-2-one?

The canonical SMILES for 5-[2-[4-chloro-2-(trifluoromethyl)phenyl]-1-indazol-5-ylideneethyl]-3-[[(2S,4R)-4-fluoropyrrolidin-2-yl]methyl]-4-hydroxy-1,3-thiazol-2-one is O=c1sc(C(Cc2ccc(Cl)cc2C(F)(F)F)=c2ccc3c(c2)C=NN=3)c(O)n1C[C@@H]1C[C@@H](F)CN1.

What is the InChIKey of 5-[2-[4-chloro-2-(trifluoromethyl)phenyl]-1-indazol-5-ylideneethyl]-3-[[(2S,4R)-4-fluoropyrrolidin-2-yl]methyl]-4-hydroxy-1,3-thiazol-2-one?

The InChIKey is KRCSZVBAGDCXSQ-SJORKVTESA-N. The full InChI is InChI=1S/C24H19ClF4N4O2S/c25-15-3-1-13(19(7-15)24(27,28)29)6-18(12-2-4-20-14(5-12)9-31-32-20)21-22(34)33(23(35)36-21)11-17-8-16(26)10-30-17/h1-5,7,9,16-17,30,34H,6,8,10-11H2/t16-,17+/m1/s1.

What are the key properties of 5-[2-[4-chloro-2-(trifluoromethyl)phenyl]-1-indazol-5-ylideneethyl]-3-[[(2S,4R)-4-fluoropyrrolidin-2-yl]methyl]-4-hydroxy-1,3-thiazol-2-one?

5-[2-[4-chloro-2-(trifluoromethyl)phenyl]-1-indazol-5-ylideneethyl]-3-[[(2S,4R)-4-fluoropyrrolidin-2-yl]methyl]-4-hydroxy-1,3-thiazol-2-one has a molecular weight of 538.95 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[4-chloro-2-(trifluoromethyl)phenyl]-1-indazol-5-ylideneethyl]-3-[[(2S,4R)-4-fluoropyrrolidin-2-yl]methyl]-4-hydroxy-1,3-thiazol-2-one is sourced from PubChem (CID 137154915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).