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

C24H23N5OS — CID 171342311

IUPAC(2Z)-2-[3-(1-ethylindol-3-yl)-1-(2-ethylphenyl)pyrazol-5-yl]imino-1,3-thiazolidin-4-one
SMILESCCc1ccccc1-n1nc(-c2cn(CC)c3ccccc23)cc1/N=C1/NC(=O)CS1
InChIInChI=1S/C24H23N5OS/c1-3-16-9-5-7-11-20(16)29-22(25-24-26-23(30)15-31-24)13-19(27-29)18-14-28(4-2)21-12-8-6-10-17(18)21/h5-14H,3-4,15H2,1-2H3,(H,25,26,30)
InChIKeyPFNZWZZNOOJOCT-UHFFFAOYSA-N
MW429.55 g/mol
LogP4.93
Rot. Bonds5

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

(2Z)-2-[3-(1-ethylindol-3-yl)-1-(2-ethylphenyl)pyrazol-5-yl]imino-1,3-thiazolidin-4-one (PubChem CID 171342311) has the molecular formula C24H23N5OS and a molecular weight of 429.55 g/mol. Its IUPAC name is (2Z)-2-[3-(1-ethylindol-3-yl)-1-(2-ethylphenyl)pyrazol-5-yl]imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z)-2-[3-(1-ethylindol-3-yl)-1-(2-ethylphenyl)pyrazol-5-yl]imino-1,3-thiazolidin-4-one
PubChem CID171342311
Molecular FormulaC24H23N5OS
Molecular Weight429.55 g/mol
Exact Mass429.16
IUPAC Name(2Z)-2-[3-(1-ethylindol-3-yl)-1-(2-ethylphenyl)pyrazol-5-yl]imino-1,3-thiazolidin-4-one
SMILESCCc1ccccc1-n1nc(-c2cn(CC)c3ccccc23)cc1/N=C1/NC(=O)CS1
InChIInChI=1S/C24H23N5OS/c1-3-16-9-5-7-11-20(16)29-22(25-24-26-23(30)15-31-24)13-19(27-29)18-14-28(4-2)21-12-8-6-10-17(18)21/h5-14H,3-4,15H2,1-2H3,(H,25,26,30)
InChIKeyPFNZWZZNOOJOCT-UHFFFAOYSA-N
XLogP4.93
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.55
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-ethylindol-3-yl)-1-(2-ethylphenyl)pyrazol-5-yl]imino-1,3-thiazolidin-4-one?
The IUPAC name of (2Z)-2-[3-(1-ethylindol-3-yl)-1-(2-ethylphenyl)pyrazol-5-yl]imino-1,3-thiazolidin-4-one (CID 171342311) is (2Z)-2-[3-(1-ethylindol-3-yl)-1-(2-ethylphenyl)pyrazol-5-yl]imino-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z)-2-[3-(1-ethylindol-3-yl)-1-(2-ethylphenyl)pyrazol-5-yl]imino-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z)-2-[3-(1-ethylindol-3-yl)-1-(2-ethylphenyl)pyrazol-5-yl]imino-1,3-thiazolidin-4-one is CCc1ccccc1-n1nc(-c2cn(CC)c3ccccc23)cc1/N=C1/NC(=O)CS1.
What is the InChIKey of (2Z)-2-[3-(1-ethylindol-3-yl)-1-(2-ethylphenyl)pyrazol-5-yl]imino-1,3-thiazolidin-4-one?
The InChIKey is PFNZWZZNOOJOCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5OS/c1-3-16-9-5-7-11-20(16)29-22(25-24-26-23(30)15-31-24)13-19(27-29)18-14-28(4-2)21-12-8-6-10-17(18)21/h5-14H,3-4,15H2,1-2H3,(H,25,26,30).
What are the key properties of (2Z)-2-[3-(1-ethylindol-3-yl)-1-(2-ethylphenyl)pyrazol-5-yl]imino-1,3-thiazolidin-4-one?
(2Z)-2-[3-(1-ethylindol-3-yl)-1-(2-ethylphenyl)pyrazol-5-yl]imino-1,3-thiazolidin-4-one has a molecular weight of 429.55 g/mol, XLogP of 4.93, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[3-(1-ethylindol-3-yl)-1-(2-ethylphenyl)pyrazol-5-yl]imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 171342311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).