5-[2-(2,4-dichlorophenyl)-1-indazol-5-ylideneethyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3-thiazol-4-ol

C24H23Cl2N5O2S — CID 137138456

About 5-[2-(2,4-dichlorophenyl)-1-indazol-5-ylideneethyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3-thiazol-4-ol

5-[2-(2,4-dichlorophenyl)-1-indazol-5-ylideneethyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3-thiazol-4-ol (PubChem CID 137138456) has the molecular formula C24H23Cl2N5O2S and a molecular weight of 516.45 g/mol. Its IUPAC name is 5-[2-(2,4-dichlorophenyl)-1-indazol-5-ylideneethyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3-thiazol-4-ol.

Molecular Properties

• Compound Name: 5-[2-(2,4-dichlorophenyl)-1-indazol-5-ylideneethyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3-thiazol-4-ol
• PubChem CID: 137138456
• Molecular Formula: C24H23Cl2N5O2S
• Molecular Weight: 516.45 g/mol
• Exact Mass: 515.09
• IUPAC Name: 5-[2-(2,4-dichlorophenyl)-1-indazol-5-ylideneethyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3-thiazol-4-ol
• SMILES: OCCN1CCN(c2nc(O)c(C(Cc3ccc(Cl)cc3Cl)=c3ccc4c(c3)C=NN=4)s2)CC1
• InChI: InChI=1S/C24H23Cl2N5O2S/c25-18-3-1-16(20(26)13-18)12-19(15-2-4-21-17(11-15)14-27-29-21)22-23(33)28-24(34-22)31-7-5-30(6-8-31)9-10-32/h1-4,11,13-14,32-33H,5-10,12H2
• InChIKey: CSOMHGFOSDUWIQ-UHFFFAOYSA-N
• XLogP: 2.68
• TPSA: 84.55 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	516.45
LogP ≤ 5	2.68
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2,4-dichlorophenyl)-1-indazol-5-ylideneethyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3-thiazol-4-ol?

The IUPAC name of 5-[2-(2,4-dichlorophenyl)-1-indazol-5-ylideneethyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3-thiazol-4-ol (CID 137138456) is 5-[2-(2,4-dichlorophenyl)-1-indazol-5-ylideneethyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3-thiazol-4-ol.

What is the SMILES notation for 5-[2-(2,4-dichlorophenyl)-1-indazol-5-ylideneethyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3-thiazol-4-ol?

The canonical SMILES for 5-[2-(2,4-dichlorophenyl)-1-indazol-5-ylideneethyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3-thiazol-4-ol is OCCN1CCN(c2nc(O)c(C(Cc3ccc(Cl)cc3Cl)=c3ccc4c(c3)C=NN=4)s2)CC1.

What is the InChIKey of 5-[2-(2,4-dichlorophenyl)-1-indazol-5-ylideneethyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3-thiazol-4-ol?

The InChIKey is CSOMHGFOSDUWIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23Cl2N5O2S/c25-18-3-1-16(20(26)13-18)12-19(15-2-4-21-17(11-15)14-27-29-21)22-23(33)28-24(34-22)31-7-5-30(6-8-31)9-10-32/h1-4,11,13-14,32-33H,5-10,12H2.

What are the key properties of 5-[2-(2,4-dichlorophenyl)-1-indazol-5-ylideneethyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3-thiazol-4-ol?

5-[2-(2,4-dichlorophenyl)-1-indazol-5-ylideneethyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3-thiazol-4-ol has a molecular weight of 516.45 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-(2,4-dichlorophenyl)-1-indazol-5-ylideneethyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3-thiazol-4-ol is sourced from PubChem (CID 137138456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).