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

C21H16ClN5O2S — CID 171343443

IUPAC(2Z)-2-[1-(4-chlorophenyl)-3-(5-methoxy-1H-indol-3-yl)pyrazol-5-yl]imino-1,3-thiazolidin-4-one
SMILESCOc1ccc2[nH]cc(-c3cc(/N=C4/NC(=O)CS4)n(-c4ccc(Cl)cc4)n3)c2c1
InChIInChI=1S/C21H16ClN5O2S/c1-29-14-6-7-17-15(8-14)16(10-23-17)18-9-19(24-21-25-20(28)11-30-21)27(26-18)13-4-2-12(22)3-5-13/h2-10,23H,11H2,1H3,(H,24,25,28)
InChIKeyMQDCUKHEMZSKBW-UHFFFAOYSA-N
MW437.91 g/mol
LogP4.53
Rot. Bonds4

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

(2Z)-2-[1-(4-chlorophenyl)-3-(5-methoxy-1H-indol-3-yl)pyrazol-5-yl]imino-1,3-thiazolidin-4-one (PubChem CID 171343443) has the molecular formula C21H16ClN5O2S and a molecular weight of 437.91 g/mol. Its IUPAC name is (2Z)-2-[1-(4-chlorophenyl)-3-(5-methoxy-1H-indol-3-yl)pyrazol-5-yl]imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z)-2-[1-(4-chlorophenyl)-3-(5-methoxy-1H-indol-3-yl)pyrazol-5-yl]imino-1,3-thiazolidin-4-one
PubChem CID171343443
Molecular FormulaC21H16ClN5O2S
Molecular Weight437.91 g/mol
Exact Mass437.07
IUPAC Name(2Z)-2-[1-(4-chlorophenyl)-3-(5-methoxy-1H-indol-3-yl)pyrazol-5-yl]imino-1,3-thiazolidin-4-one
SMILESCOc1ccc2[nH]cc(-c3cc(/N=C4/NC(=O)CS4)n(-c4ccc(Cl)cc4)n3)c2c1
InChIInChI=1S/C21H16ClN5O2S/c1-29-14-6-7-17-15(8-14)16(10-23-17)18-9-19(24-21-25-20(28)11-30-21)27(26-18)13-4-2-12(22)3-5-13/h2-10,23H,11H2,1H3,(H,24,25,28)
InChIKeyMQDCUKHEMZSKBW-UHFFFAOYSA-N
XLogP4.53
TPSA84.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.91
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2Z)-2-[1-(4-chlorophenyl)-3-(5-methoxy-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-(4-chlorophenyl)-3-(5-methoxy-1H-indol-3-yl)pyrazol-5-yl]imino-1,3-thiazolidin-4-one?
The IUPAC name of (2Z)-2-[1-(4-chlorophenyl)-3-(5-methoxy-1H-indol-3-yl)pyrazol-5-yl]imino-1,3-thiazolidin-4-one (CID 171343443) is (2Z)-2-[1-(4-chlorophenyl)-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-(4-chlorophenyl)-3-(5-methoxy-1H-indol-3-yl)pyrazol-5-yl]imino-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z)-2-[1-(4-chlorophenyl)-3-(5-methoxy-1H-indol-3-yl)pyrazol-5-yl]imino-1,3-thiazolidin-4-one is COc1ccc2[nH]cc(-c3cc(/N=C4/NC(=O)CS4)n(-c4ccc(Cl)cc4)n3)c2c1.
What is the InChIKey of (2Z)-2-[1-(4-chlorophenyl)-3-(5-methoxy-1H-indol-3-yl)pyrazol-5-yl]imino-1,3-thiazolidin-4-one?
The InChIKey is MQDCUKHEMZSKBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN5O2S/c1-29-14-6-7-17-15(8-14)16(10-23-17)18-9-19(24-21-25-20(28)11-30-21)27(26-18)13-4-2-12(22)3-5-13/h2-10,23H,11H2,1H3,(H,24,25,28).
What are the key properties of (2Z)-2-[1-(4-chlorophenyl)-3-(5-methoxy-1H-indol-3-yl)pyrazol-5-yl]imino-1,3-thiazolidin-4-one?
(2Z)-2-[1-(4-chlorophenyl)-3-(5-methoxy-1H-indol-3-yl)pyrazol-5-yl]imino-1,3-thiazolidin-4-one has a molecular weight of 437.91 g/mol, XLogP of 4.53, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[1-(4-chlorophenyl)-3-(5-methoxy-1H-indol-3-yl)pyrazol-5-yl]imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 171343443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).