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

C20H15N5OS — CID 171342818

IUPAC(2Z)-2-[3-(1H-indol-3-yl)-1-phenylpyrazol-5-yl]imino-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N\c2cc(-c3c[nH]c4ccccc34)nn2-c2ccccc2)N1
InChIInChI=1S/C20H15N5OS/c26-19-12-27-20(23-19)22-18-10-17(24-25(18)13-6-2-1-3-7-13)15-11-21-16-9-5-4-8-14(15)16/h1-11,21H,12H2,(H,22,23,26)
InChIKeyNTGIZUSJRIPDJL-UHFFFAOYSA-N
MW373.44 g/mol
LogP3.87
Rot. Bonds3

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

(2Z)-2-[3-(1H-indol-3-yl)-1-phenylpyrazol-5-yl]imino-1,3-thiazolidin-4-one (PubChem CID 171342818) has the molecular formula C20H15N5OS and a molecular weight of 373.44 g/mol. Its IUPAC name is (2Z)-2-[3-(1H-indol-3-yl)-1-phenylpyrazol-5-yl]imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z)-2-[3-(1H-indol-3-yl)-1-phenylpyrazol-5-yl]imino-1,3-thiazolidin-4-one
PubChem CID171342818
Molecular FormulaC20H15N5OS
Molecular Weight373.44 g/mol
Exact Mass373.10
IUPAC Name(2Z)-2-[3-(1H-indol-3-yl)-1-phenylpyrazol-5-yl]imino-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N\c2cc(-c3c[nH]c4ccccc34)nn2-c2ccccc2)N1
InChIInChI=1S/C20H15N5OS/c26-19-12-27-20(23-19)22-18-10-17(24-25(18)13-6-2-1-3-7-13)15-11-21-16-9-5-4-8-14(15)16/h1-11,21H,12H2,(H,22,23,26)
InChIKeyNTGIZUSJRIPDJL-UHFFFAOYSA-N
XLogP3.87
TPSA75.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.44
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[3-(1H-indol-3-yl)-1-phenylpyrazol-5-yl]imino-1,3-thiazolidin-4-one?
The IUPAC name of (2Z)-2-[3-(1H-indol-3-yl)-1-phenylpyrazol-5-yl]imino-1,3-thiazolidin-4-one (CID 171342818) is (2Z)-2-[3-(1H-indol-3-yl)-1-phenylpyrazol-5-yl]imino-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z)-2-[3-(1H-indol-3-yl)-1-phenylpyrazol-5-yl]imino-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z)-2-[3-(1H-indol-3-yl)-1-phenylpyrazol-5-yl]imino-1,3-thiazolidin-4-one is O=C1CS/C(=N\c2cc(-c3c[nH]c4ccccc34)nn2-c2ccccc2)N1.
What is the InChIKey of (2Z)-2-[3-(1H-indol-3-yl)-1-phenylpyrazol-5-yl]imino-1,3-thiazolidin-4-one?
The InChIKey is NTGIZUSJRIPDJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5OS/c26-19-12-27-20(23-19)22-18-10-17(24-25(18)13-6-2-1-3-7-13)15-11-21-16-9-5-4-8-14(15)16/h1-11,21H,12H2,(H,22,23,26).
What are the key properties of (2Z)-2-[3-(1H-indol-3-yl)-1-phenylpyrazol-5-yl]imino-1,3-thiazolidin-4-one?
(2Z)-2-[3-(1H-indol-3-yl)-1-phenylpyrazol-5-yl]imino-1,3-thiazolidin-4-one has a molecular weight of 373.44 g/mol, XLogP of 3.87, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[3-(1H-indol-3-yl)-1-phenylpyrazol-5-yl]imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 171342818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).