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

C22H19N5OS — CID 171342727

IUPAC(2Z)-2-[1-(2-ethylphenyl)-3-(1H-indol-3-yl)pyrazol-5-yl]imino-1,3-thiazolidin-4-one
SMILESCCc1ccccc1-n1nc(-c2c[nH]c3ccccc23)cc1/N=C1/NC(=O)CS1
InChIInChI=1S/C22H19N5OS/c1-2-14-7-3-6-10-19(14)27-20(24-22-25-21(28)13-29-22)11-18(26-27)16-12-23-17-9-5-4-8-15(16)17/h3-12,23H,2,13H2,1H3,(H,24,25,28)
InChIKeySGIQAELOXVQASQ-UHFFFAOYSA-N
MW401.50 g/mol
LogP4.43
Rot. Bonds4

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

(2Z)-2-[1-(2-ethylphenyl)-3-(1H-indol-3-yl)pyrazol-5-yl]imino-1,3-thiazolidin-4-one (PubChem CID 171342727) has the molecular formula C22H19N5OS and a molecular weight of 401.50 g/mol. Its IUPAC name is (2Z)-2-[1-(2-ethylphenyl)-3-(1H-indol-3-yl)pyrazol-5-yl]imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z)-2-[1-(2-ethylphenyl)-3-(1H-indol-3-yl)pyrazol-5-yl]imino-1,3-thiazolidin-4-one
PubChem CID171342727
Molecular FormulaC22H19N5OS
Molecular Weight401.50 g/mol
Exact Mass401.13
IUPAC Name(2Z)-2-[1-(2-ethylphenyl)-3-(1H-indol-3-yl)pyrazol-5-yl]imino-1,3-thiazolidin-4-one
SMILESCCc1ccccc1-n1nc(-c2c[nH]c3ccccc23)cc1/N=C1/NC(=O)CS1
InChIInChI=1S/C22H19N5OS/c1-2-14-7-3-6-10-19(14)27-20(24-22-25-21(28)13-29-22)11-18(26-27)16-12-23-17-9-5-4-8-15(16)17/h3-12,23H,2,13H2,1H3,(H,24,25,28)
InChIKeySGIQAELOXVQASQ-UHFFFAOYSA-N
XLogP4.43
TPSA75.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.50
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[1-(2-ethylphenyl)-3-(1H-indol-3-yl)pyrazol-5-yl]imino-1,3-thiazolidin-4-one?
The IUPAC name of (2Z)-2-[1-(2-ethylphenyl)-3-(1H-indol-3-yl)pyrazol-5-yl]imino-1,3-thiazolidin-4-one (CID 171342727) is (2Z)-2-[1-(2-ethylphenyl)-3-(1H-indol-3-yl)pyrazol-5-yl]imino-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z)-2-[1-(2-ethylphenyl)-3-(1H-indol-3-yl)pyrazol-5-yl]imino-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z)-2-[1-(2-ethylphenyl)-3-(1H-indol-3-yl)pyrazol-5-yl]imino-1,3-thiazolidin-4-one is CCc1ccccc1-n1nc(-c2c[nH]c3ccccc23)cc1/N=C1/NC(=O)CS1.
What is the InChIKey of (2Z)-2-[1-(2-ethylphenyl)-3-(1H-indol-3-yl)pyrazol-5-yl]imino-1,3-thiazolidin-4-one?
The InChIKey is SGIQAELOXVQASQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5OS/c1-2-14-7-3-6-10-19(14)27-20(24-22-25-21(28)13-29-22)11-18(26-27)16-12-23-17-9-5-4-8-15(16)17/h3-12,23H,2,13H2,1H3,(H,24,25,28).
What are the key properties of (2Z)-2-[1-(2-ethylphenyl)-3-(1H-indol-3-yl)pyrazol-5-yl]imino-1,3-thiazolidin-4-one?
(2Z)-2-[1-(2-ethylphenyl)-3-(1H-indol-3-yl)pyrazol-5-yl]imino-1,3-thiazolidin-4-one has a molecular weight of 401.50 g/mol, XLogP of 4.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[1-(2-ethylphenyl)-3-(1H-indol-3-yl)pyrazol-5-yl]imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 171342727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).