(2Z)-2-[(E)-(3-methylcyclopentylidene)hydrazinylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one

C20H21N3OS — CID 127037790

IUPAC(2Z)-2-[(E)-(3-methylcyclopentylidene)hydrazinylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one
SMILESCC1CC/C(=N\N=C2/SCC(=O)N2Cc2cccc3ccccc23)C1
InChIInChI=1S/C20H21N3OS/c1-14-9-10-17(11-14)21-22-20-23(19(24)13-25-20)12-16-7-4-6-15-5-2-3-8-18(15)16/h2-8,14H,9-13H2,1H3/b21-17+,22-20-
InChIKeyDHEKXOGWFINXOI-BYVORTCQSA-N
MW351.47 g/mol
LogP4.45
Rot. Bonds3

About (2Z)-2-[(E)-(3-methylcyclopentylidene)hydrazinylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one

(2Z)-2-[(E)-(3-methylcyclopentylidene)hydrazinylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one (PubChem CID 127037790) has the molecular formula C20H21N3OS and a molecular weight of 351.47 g/mol. Its IUPAC name is (2Z)-2-[(E)-(3-methylcyclopentylidene)hydrazinylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z)-2-[(E)-(3-methylcyclopentylidene)hydrazinylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one
PubChem CID127037790
Molecular FormulaC20H21N3OS
Molecular Weight351.47 g/mol
Exact Mass351.14
IUPAC Name(2Z)-2-[(E)-(3-methylcyclopentylidene)hydrazinylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one
SMILESCC1CC/C(=N\N=C2/SCC(=O)N2Cc2cccc3ccccc23)C1
InChIInChI=1S/C20H21N3OS/c1-14-9-10-17(11-14)21-22-20-23(19(24)13-25-20)12-16-7-4-6-15-5-2-3-8-18(15)16/h2-8,14H,9-13H2,1H3/b21-17+,22-20-
InChIKeyDHEKXOGWFINXOI-BYVORTCQSA-N
XLogP4.45
TPSA45.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(E)-(3-methylcyclopentylidene)hydrazinylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one?
The IUPAC name of (2Z)-2-[(E)-(3-methylcyclopentylidene)hydrazinylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one (CID 127037790) is (2Z)-2-[(E)-(3-methylcyclopentylidene)hydrazinylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z)-2-[(E)-(3-methylcyclopentylidene)hydrazinylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z)-2-[(E)-(3-methylcyclopentylidene)hydrazinylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one is CC1CC/C(=N\N=C2/SCC(=O)N2Cc2cccc3ccccc23)C1.
What is the InChIKey of (2Z)-2-[(E)-(3-methylcyclopentylidene)hydrazinylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one?
The InChIKey is DHEKXOGWFINXOI-BYVORTCQSA-N. The full InChI is InChI=1S/C20H21N3OS/c1-14-9-10-17(11-14)21-22-20-23(19(24)13-25-20)12-16-7-4-6-15-5-2-3-8-18(15)16/h2-8,14H,9-13H2,1H3/b21-17+,22-20-.
What are the key properties of (2Z)-2-[(E)-(3-methylcyclopentylidene)hydrazinylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one?
(2Z)-2-[(E)-(3-methylcyclopentylidene)hydrazinylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one has a molecular weight of 351.47 g/mol, XLogP of 4.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(E)-(3-methylcyclopentylidene)hydrazinylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 127037790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).