(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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Related Compounds

N-(4-Fluorophenyl)-2-({5-[(1-methyl-1H-pyrrol-2-YL)methyl]-4-(2-phenylethyl)-4H-1,2,4-triazol-3-YL}sulfanyl)acetamide
CID 5307605
methyl 2-((4-ethyl-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl)thio)acetate
CID 4061337
3-(5-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]thio}-4-ethyl-4H-1,2,4-triazol-3-yl)-1H-indole
CID 1254192
N-(9-ethyl-9H-carbazol-3-yl)-2-{[4-ethyl-5-(2-pyrazinyl)-4H-1,2,4-triazol-3-yl]thio}acetamide
CID 2218748
N'-[(1,3-diphenyl-1H-pyrazol-4-yl)methylene]-2-[(5-methyl-4-phenyl-4H-1,2,4-triazol-3-yl)thio]acetohydrazide
CID 5921308
3-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(1H-indol-3-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
CID 1256028
N-[3-(4-methyl-5-{[2-oxo-2-(1,2,3,4-tetrahydro-9H-carbazol-9-yl)ethyl]thio}-4H-1,2,4-triazol-3-yl)phenyl]acetamide
CID 1299637
2-[(4-benzyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide
CID 2816022
N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-2-{[4-methyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
CID 2816031
3-(5-(benzylthio)-4-methyl-4H-1,2,4-triazol-3-yl)-1H-indole
CID 2972613
2-{[4-ethyl-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]thio}-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
CID 3238207
2-[(5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)thio]-N-pyrimidin-2-ylacetamide
CID 3238208

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).