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

C24H23N5O2S — CID 171358736

IUPAC(2Z)-2-[1-(2-ethylphenyl)-3-(5-methoxy-1-methylindol-3-yl)pyrazol-5-yl]imino-1,3-thiazolidin-4-one
SMILESCCc1ccccc1-n1nc(-c2cn(C)c3ccc(OC)cc23)cc1/N=C1/NC(=O)CS1
InChIInChI=1S/C24H23N5O2S/c1-4-15-7-5-6-8-20(15)29-22(25-24-26-23(30)14-32-24)12-19(27-29)18-13-28(2)21-10-9-16(31-3)11-17(18)21/h5-13H,4,14H2,1-3H3,(H,25,26,30)
InChIKeySHWWMPNWAHEXIQ-UHFFFAOYSA-N
MW445.55 g/mol
LogP4.45
Rot. Bonds5

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

(2Z)-2-[1-(2-ethylphenyl)-3-(5-methoxy-1-methylindol-3-yl)pyrazol-5-yl]imino-1,3-thiazolidin-4-one (PubChem CID 171358736) has the molecular formula C24H23N5O2S and a molecular weight of 445.55 g/mol. Its IUPAC name is (2Z)-2-[1-(2-ethylphenyl)-3-(5-methoxy-1-methylindol-3-yl)pyrazol-5-yl]imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z)-2-[1-(2-ethylphenyl)-3-(5-methoxy-1-methylindol-3-yl)pyrazol-5-yl]imino-1,3-thiazolidin-4-one
PubChem CID171358736
Molecular FormulaC24H23N5O2S
Molecular Weight445.55 g/mol
Exact Mass445.16
IUPAC Name(2Z)-2-[1-(2-ethylphenyl)-3-(5-methoxy-1-methylindol-3-yl)pyrazol-5-yl]imino-1,3-thiazolidin-4-one
SMILESCCc1ccccc1-n1nc(-c2cn(C)c3ccc(OC)cc23)cc1/N=C1/NC(=O)CS1
InChIInChI=1S/C24H23N5O2S/c1-4-15-7-5-6-8-20(15)29-22(25-24-26-23(30)14-32-24)12-19(27-29)18-13-28(2)21-10-9-16(31-3)11-17(18)21/h5-13H,4,14H2,1-3H3,(H,25,26,30)
InChIKeySHWWMPNWAHEXIQ-UHFFFAOYSA-N
XLogP4.45
TPSA73.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.55
LogP ≤ 54.45
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-[1-(2-ethylphenyl)-3-(5-methoxy-1-methylindol-3-yl)pyrazol-5-yl]imino-1,3-thiazolidin-4-one?
The IUPAC name of (2Z)-2-[1-(2-ethylphenyl)-3-(5-methoxy-1-methylindol-3-yl)pyrazol-5-yl]imino-1,3-thiazolidin-4-one (CID 171358736) is (2Z)-2-[1-(2-ethylphenyl)-3-(5-methoxy-1-methylindol-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-1-methylindol-3-yl)pyrazol-5-yl]imino-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z)-2-[1-(2-ethylphenyl)-3-(5-methoxy-1-methylindol-3-yl)pyrazol-5-yl]imino-1,3-thiazolidin-4-one is CCc1ccccc1-n1nc(-c2cn(C)c3ccc(OC)cc23)cc1/N=C1/NC(=O)CS1.
What is the InChIKey of (2Z)-2-[1-(2-ethylphenyl)-3-(5-methoxy-1-methylindol-3-yl)pyrazol-5-yl]imino-1,3-thiazolidin-4-one?
The InChIKey is SHWWMPNWAHEXIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2S/c1-4-15-7-5-6-8-20(15)29-22(25-24-26-23(30)14-32-24)12-19(27-29)18-13-28(2)21-10-9-16(31-3)11-17(18)21/h5-13H,4,14H2,1-3H3,(H,25,26,30).
What are the key properties of (2Z)-2-[1-(2-ethylphenyl)-3-(5-methoxy-1-methylindol-3-yl)pyrazol-5-yl]imino-1,3-thiazolidin-4-one?
(2Z)-2-[1-(2-ethylphenyl)-3-(5-methoxy-1-methylindol-3-yl)pyrazol-5-yl]imino-1,3-thiazolidin-4-one has a molecular weight of 445.55 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[1-(2-ethylphenyl)-3-(5-methoxy-1-methylindol-3-yl)pyrazol-5-yl]imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 171358736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).