(2Z)-2-[1-(4-chlorophenyl)-3-(1-ethyl-5-methoxyindol-3-yl)pyrazol-5-yl]imino-1,3-thiazolidin-4-one

C23H20ClN5O2S — CID 171345057

IUPAC(2Z)-2-[1-(4-chlorophenyl)-3-(1-ethyl-5-methoxyindol-3-yl)pyrazol-5-yl]imino-1,3-thiazolidin-4-one
SMILESCCn1cc(-c2cc(/N=C3/NC(=O)CS3)n(-c3ccc(Cl)cc3)n2)c2cc(OC)ccc21
InChIInChI=1S/C23H20ClN5O2S/c1-3-28-12-18(17-10-16(31-2)8-9-20(17)28)19-11-21(25-23-26-22(30)13-32-23)29(27-19)15-6-4-14(24)5-7-15/h4-12H,3,13H2,1-2H3,(H,25,26,30)
InChIKeyKMTCWGPRCIKJOF-UHFFFAOYSA-N
MW465.97 g/mol
LogP5.03
Rot. Bonds5

About (2Z)-2-[1-(4-chlorophenyl)-3-(1-ethyl-5-methoxyindol-3-yl)pyrazol-5-yl]imino-1,3-thiazolidin-4-one

(2Z)-2-[1-(4-chlorophenyl)-3-(1-ethyl-5-methoxyindol-3-yl)pyrazol-5-yl]imino-1,3-thiazolidin-4-one (PubChem CID 171345057) has the molecular formula C23H20ClN5O2S and a molecular weight of 465.97 g/mol. Its IUPAC name is (2Z)-2-[1-(4-chlorophenyl)-3-(1-ethyl-5-methoxyindol-3-yl)pyrazol-5-yl]imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z)-2-[1-(4-chlorophenyl)-3-(1-ethyl-5-methoxyindol-3-yl)pyrazol-5-yl]imino-1,3-thiazolidin-4-one
PubChem CID171345057
Molecular FormulaC23H20ClN5O2S
Molecular Weight465.97 g/mol
Exact Mass465.10
IUPAC Name(2Z)-2-[1-(4-chlorophenyl)-3-(1-ethyl-5-methoxyindol-3-yl)pyrazol-5-yl]imino-1,3-thiazolidin-4-one
SMILESCCn1cc(-c2cc(/N=C3/NC(=O)CS3)n(-c3ccc(Cl)cc3)n2)c2cc(OC)ccc21
InChIInChI=1S/C23H20ClN5O2S/c1-3-28-12-18(17-10-16(31-2)8-9-20(17)28)19-11-21(25-23-26-22(30)13-32-23)29(27-19)15-6-4-14(24)5-7-15/h4-12H,3,13H2,1-2H3,(H,25,26,30)
InChIKeyKMTCWGPRCIKJOF-UHFFFAOYSA-N
XLogP5.03
TPSA73.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.97
LogP ≤ 55.03
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-(4-chlorophenyl)-3-(1-ethyl-5-methoxyindol-3-yl)pyrazol-5-yl]imino-1,3-thiazolidin-4-one?
The IUPAC name of (2Z)-2-[1-(4-chlorophenyl)-3-(1-ethyl-5-methoxyindol-3-yl)pyrazol-5-yl]imino-1,3-thiazolidin-4-one (CID 171345057) is (2Z)-2-[1-(4-chlorophenyl)-3-(1-ethyl-5-methoxyindol-3-yl)pyrazol-5-yl]imino-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z)-2-[1-(4-chlorophenyl)-3-(1-ethyl-5-methoxyindol-3-yl)pyrazol-5-yl]imino-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z)-2-[1-(4-chlorophenyl)-3-(1-ethyl-5-methoxyindol-3-yl)pyrazol-5-yl]imino-1,3-thiazolidin-4-one is CCn1cc(-c2cc(/N=C3/NC(=O)CS3)n(-c3ccc(Cl)cc3)n2)c2cc(OC)ccc21.
What is the InChIKey of (2Z)-2-[1-(4-chlorophenyl)-3-(1-ethyl-5-methoxyindol-3-yl)pyrazol-5-yl]imino-1,3-thiazolidin-4-one?
The InChIKey is KMTCWGPRCIKJOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN5O2S/c1-3-28-12-18(17-10-16(31-2)8-9-20(17)28)19-11-21(25-23-26-22(30)13-32-23)29(27-19)15-6-4-14(24)5-7-15/h4-12H,3,13H2,1-2H3,(H,25,26,30).
What are the key properties of (2Z)-2-[1-(4-chlorophenyl)-3-(1-ethyl-5-methoxyindol-3-yl)pyrazol-5-yl]imino-1,3-thiazolidin-4-one?
(2Z)-2-[1-(4-chlorophenyl)-3-(1-ethyl-5-methoxyindol-3-yl)pyrazol-5-yl]imino-1,3-thiazolidin-4-one has a molecular weight of 465.97 g/mol, XLogP of 5.03, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[1-(4-chlorophenyl)-3-(1-ethyl-5-methoxyindol-3-yl)pyrazol-5-yl]imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 171345057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).