(2Z)-2-[3-(1-ethyl-5-methoxyindol-3-yl)-1-(2-ethylphenyl)pyrazol-5-yl]imino-1,3-thiazolidin-4-one

C25H25N5O2S — CID 171347263

IUPAC(2Z)-2-[3-(1-ethyl-5-methoxyindol-3-yl)-1-(2-ethylphenyl)pyrazol-5-yl]imino-1,3-thiazolidin-4-one
SMILESCCc1ccccc1-n1nc(-c2cn(CC)c3ccc(OC)cc23)cc1/N=C1/NC(=O)CS1
InChIInChI=1S/C25H25N5O2S/c1-4-16-8-6-7-9-21(16)30-23(26-25-27-24(31)15-33-25)13-20(28-30)19-14-29(5-2)22-11-10-17(32-3)12-18(19)22/h6-14H,4-5,15H2,1-3H3,(H,26,27,31)
InChIKeyFPOFYLROEKXXET-UHFFFAOYSA-N
MW459.58 g/mol
LogP4.94
Rot. Bonds6

About (2Z)-2-[3-(1-ethyl-5-methoxyindol-3-yl)-1-(2-ethylphenyl)pyrazol-5-yl]imino-1,3-thiazolidin-4-one

(2Z)-2-[3-(1-ethyl-5-methoxyindol-3-yl)-1-(2-ethylphenyl)pyrazol-5-yl]imino-1,3-thiazolidin-4-one (PubChem CID 171347263) has the molecular formula C25H25N5O2S and a molecular weight of 459.58 g/mol. Its IUPAC name is (2Z)-2-[3-(1-ethyl-5-methoxyindol-3-yl)-1-(2-ethylphenyl)pyrazol-5-yl]imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z)-2-[3-(1-ethyl-5-methoxyindol-3-yl)-1-(2-ethylphenyl)pyrazol-5-yl]imino-1,3-thiazolidin-4-one
PubChem CID171347263
Molecular FormulaC25H25N5O2S
Molecular Weight459.58 g/mol
Exact Mass459.17
IUPAC Name(2Z)-2-[3-(1-ethyl-5-methoxyindol-3-yl)-1-(2-ethylphenyl)pyrazol-5-yl]imino-1,3-thiazolidin-4-one
SMILESCCc1ccccc1-n1nc(-c2cn(CC)c3ccc(OC)cc23)cc1/N=C1/NC(=O)CS1
InChIInChI=1S/C25H25N5O2S/c1-4-16-8-6-7-9-21(16)30-23(26-25-27-24(31)15-33-25)13-20(28-30)19-14-29(5-2)22-11-10-17(32-3)12-18(19)22/h6-14H,4-5,15H2,1-3H3,(H,26,27,31)
InChIKeyFPOFYLROEKXXET-UHFFFAOYSA-N
XLogP4.94
TPSA73.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.58
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[3-(1-ethyl-5-methoxyindol-3-yl)-1-(2-ethylphenyl)pyrazol-5-yl]imino-1,3-thiazolidin-4-one?
The IUPAC name of (2Z)-2-[3-(1-ethyl-5-methoxyindol-3-yl)-1-(2-ethylphenyl)pyrazol-5-yl]imino-1,3-thiazolidin-4-one (CID 171347263) is (2Z)-2-[3-(1-ethyl-5-methoxyindol-3-yl)-1-(2-ethylphenyl)pyrazol-5-yl]imino-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z)-2-[3-(1-ethyl-5-methoxyindol-3-yl)-1-(2-ethylphenyl)pyrazol-5-yl]imino-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z)-2-[3-(1-ethyl-5-methoxyindol-3-yl)-1-(2-ethylphenyl)pyrazol-5-yl]imino-1,3-thiazolidin-4-one is CCc1ccccc1-n1nc(-c2cn(CC)c3ccc(OC)cc23)cc1/N=C1/NC(=O)CS1.
What is the InChIKey of (2Z)-2-[3-(1-ethyl-5-methoxyindol-3-yl)-1-(2-ethylphenyl)pyrazol-5-yl]imino-1,3-thiazolidin-4-one?
The InChIKey is FPOFYLROEKXXET-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O2S/c1-4-16-8-6-7-9-21(16)30-23(26-25-27-24(31)15-33-25)13-20(28-30)19-14-29(5-2)22-11-10-17(32-3)12-18(19)22/h6-14H,4-5,15H2,1-3H3,(H,26,27,31).
What are the key properties of (2Z)-2-[3-(1-ethyl-5-methoxyindol-3-yl)-1-(2-ethylphenyl)pyrazol-5-yl]imino-1,3-thiazolidin-4-one?
(2Z)-2-[3-(1-ethyl-5-methoxyindol-3-yl)-1-(2-ethylphenyl)pyrazol-5-yl]imino-1,3-thiazolidin-4-one has a molecular weight of 459.58 g/mol, XLogP of 4.94, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[3-(1-ethyl-5-methoxyindol-3-yl)-1-(2-ethylphenyl)pyrazol-5-yl]imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 171347263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).