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

C20H14ClN5OS — CID 171351700

IUPAC(2Z)-2-[1-(3-chlorophenyl)-3-(1H-indol-3-yl)pyrazol-5-yl]imino-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N\c2cc(-c3c[nH]c4ccccc34)nn2-c2cccc(Cl)c2)N1
InChIInChI=1S/C20H14ClN5OS/c21-12-4-3-5-13(8-12)26-18(23-20-24-19(27)11-28-20)9-17(25-26)15-10-22-16-7-2-1-6-14(15)16/h1-10,22H,11H2,(H,23,24,27)
InChIKeyCLQNCIZGYSYULT-UHFFFAOYSA-N
MW407.89 g/mol
LogP4.52
Rot. Bonds3

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

(2Z)-2-[1-(3-chlorophenyl)-3-(1H-indol-3-yl)pyrazol-5-yl]imino-1,3-thiazolidin-4-one (PubChem CID 171351700) has the molecular formula C20H14ClN5OS and a molecular weight of 407.89 g/mol. Its IUPAC name is (2Z)-2-[1-(3-chlorophenyl)-3-(1H-indol-3-yl)pyrazol-5-yl]imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z)-2-[1-(3-chlorophenyl)-3-(1H-indol-3-yl)pyrazol-5-yl]imino-1,3-thiazolidin-4-one
PubChem CID171351700
Molecular FormulaC20H14ClN5OS
Molecular Weight407.89 g/mol
Exact Mass407.06
IUPAC Name(2Z)-2-[1-(3-chlorophenyl)-3-(1H-indol-3-yl)pyrazol-5-yl]imino-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N\c2cc(-c3c[nH]c4ccccc34)nn2-c2cccc(Cl)c2)N1
InChIInChI=1S/C20H14ClN5OS/c21-12-4-3-5-13(8-12)26-18(23-20-24-19(27)11-28-20)9-17(25-26)15-10-22-16-7-2-1-6-14(15)16/h1-10,22H,11H2,(H,23,24,27)
InChIKeyCLQNCIZGYSYULT-UHFFFAOYSA-N
XLogP4.52
TPSA75.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.89
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (2Z)-2-[1-(3-chlorophenyl)-3-(1H-indol-3-yl)pyrazol-5-yl]imino-1,3-thiazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[1-(3-chlorophenyl)-3-(1H-indol-3-yl)pyrazol-5-yl]imino-1,3-thiazolidin-4-one?
The IUPAC name of (2Z)-2-[1-(3-chlorophenyl)-3-(1H-indol-3-yl)pyrazol-5-yl]imino-1,3-thiazolidin-4-one (CID 171351700) is (2Z)-2-[1-(3-chlorophenyl)-3-(1H-indol-3-yl)pyrazol-5-yl]imino-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z)-2-[1-(3-chlorophenyl)-3-(1H-indol-3-yl)pyrazol-5-yl]imino-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z)-2-[1-(3-chlorophenyl)-3-(1H-indol-3-yl)pyrazol-5-yl]imino-1,3-thiazolidin-4-one is O=C1CS/C(=N\c2cc(-c3c[nH]c4ccccc34)nn2-c2cccc(Cl)c2)N1.
What is the InChIKey of (2Z)-2-[1-(3-chlorophenyl)-3-(1H-indol-3-yl)pyrazol-5-yl]imino-1,3-thiazolidin-4-one?
The InChIKey is CLQNCIZGYSYULT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClN5OS/c21-12-4-3-5-13(8-12)26-18(23-20-24-19(27)11-28-20)9-17(25-26)15-10-22-16-7-2-1-6-14(15)16/h1-10,22H,11H2,(H,23,24,27).
What are the key properties of (2Z)-2-[1-(3-chlorophenyl)-3-(1H-indol-3-yl)pyrazol-5-yl]imino-1,3-thiazolidin-4-one?
(2Z)-2-[1-(3-chlorophenyl)-3-(1H-indol-3-yl)pyrazol-5-yl]imino-1,3-thiazolidin-4-one has a molecular weight of 407.89 g/mol, XLogP of 4.52, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[1-(3-chlorophenyl)-3-(1H-indol-3-yl)pyrazol-5-yl]imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 171351700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).