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

C23H21N5O2S — CID 171353889

IUPAC(2Z)-2-[1-(2-ethylphenyl)-3-(5-methoxy-1H-indol-3-yl)pyrazol-5-yl]imino-1,3-thiazolidin-4-one
SMILESCCc1ccccc1-n1nc(-c2c[nH]c3ccc(OC)cc23)cc1/N=C1/NC(=O)CS1
InChIInChI=1S/C23H21N5O2S/c1-3-14-6-4-5-7-20(14)28-21(25-23-26-22(29)13-31-23)11-19(27-28)17-12-24-18-9-8-15(30-2)10-16(17)18/h4-12,24H,3,13H2,1-2H3,(H,25,26,29)
InChIKeyPUKJNXRPGMKZGU-UHFFFAOYSA-N
MW431.52 g/mol
LogP4.44
Rot. Bonds5

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

(2Z)-2-[1-(2-ethylphenyl)-3-(5-methoxy-1H-indol-3-yl)pyrazol-5-yl]imino-1,3-thiazolidin-4-one (PubChem CID 171353889) has the molecular formula C23H21N5O2S and a molecular weight of 431.52 g/mol. Its IUPAC name is (2Z)-2-[1-(2-ethylphenyl)-3-(5-methoxy-1H-indol-3-yl)pyrazol-5-yl]imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z)-2-[1-(2-ethylphenyl)-3-(5-methoxy-1H-indol-3-yl)pyrazol-5-yl]imino-1,3-thiazolidin-4-one
PubChem CID171353889
Molecular FormulaC23H21N5O2S
Molecular Weight431.52 g/mol
Exact Mass431.14
IUPAC Name(2Z)-2-[1-(2-ethylphenyl)-3-(5-methoxy-1H-indol-3-yl)pyrazol-5-yl]imino-1,3-thiazolidin-4-one
SMILESCCc1ccccc1-n1nc(-c2c[nH]c3ccc(OC)cc23)cc1/N=C1/NC(=O)CS1
InChIInChI=1S/C23H21N5O2S/c1-3-14-6-4-5-7-20(14)28-21(25-23-26-22(29)13-31-23)11-19(27-28)17-12-24-18-9-8-15(30-2)10-16(17)18/h4-12,24H,3,13H2,1-2H3,(H,25,26,29)
InChIKeyPUKJNXRPGMKZGU-UHFFFAOYSA-N
XLogP4.44
TPSA84.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.52
LogP ≤ 54.44
H-Bond Donors ≤ 52
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-[1-(2-ethylphenyl)-3-(5-methoxy-1H-indol-3-yl)pyrazol-5-yl]imino-1,3-thiazolidin-4-one?
The IUPAC name of (2Z)-2-[1-(2-ethylphenyl)-3-(5-methoxy-1H-indol-3-yl)pyrazol-5-yl]imino-1,3-thiazolidin-4-one (CID 171353889) is (2Z)-2-[1-(2-ethylphenyl)-3-(5-methoxy-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-(5-methoxy-1H-indol-3-yl)pyrazol-5-yl]imino-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z)-2-[1-(2-ethylphenyl)-3-(5-methoxy-1H-indol-3-yl)pyrazol-5-yl]imino-1,3-thiazolidin-4-one is CCc1ccccc1-n1nc(-c2c[nH]c3ccc(OC)cc23)cc1/N=C1/NC(=O)CS1.
What is the InChIKey of (2Z)-2-[1-(2-ethylphenyl)-3-(5-methoxy-1H-indol-3-yl)pyrazol-5-yl]imino-1,3-thiazolidin-4-one?
The InChIKey is PUKJNXRPGMKZGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O2S/c1-3-14-6-4-5-7-20(14)28-21(25-23-26-22(29)13-31-23)11-19(27-28)17-12-24-18-9-8-15(30-2)10-16(17)18/h4-12,24H,3,13H2,1-2H3,(H,25,26,29).
What are the key properties of (2Z)-2-[1-(2-ethylphenyl)-3-(5-methoxy-1H-indol-3-yl)pyrazol-5-yl]imino-1,3-thiazolidin-4-one?
(2Z)-2-[1-(2-ethylphenyl)-3-(5-methoxy-1H-indol-3-yl)pyrazol-5-yl]imino-1,3-thiazolidin-4-one has a molecular weight of 431.52 g/mol, XLogP of 4.44, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[1-(2-ethylphenyl)-3-(5-methoxy-1H-indol-3-yl)pyrazol-5-yl]imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 171353889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).