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

C21H18N4OS — CID 127038136

IUPAC(2Z)-3-(naphthalen-1-ylmethyl)-2-[(E)-1-pyridin-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESC/C(=N\N=C1/SCC(=O)N1Cc1cccc2ccccc12)c1ccccn1
InChIInChI=1S/C21H18N4OS/c1-15(19-11-4-5-12-22-19)23-24-21-25(20(26)14-27-21)13-17-9-6-8-16-7-2-3-10-18(16)17/h2-12H,13-14H2,1H3/b23-15+,24-21-
InChIKeyKGUBRWYOMKBPFB-MJWRSECNSA-N
MW374.47 g/mol
LogP4.09
Rot. Bonds4

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

(2Z)-3-(naphthalen-1-ylmethyl)-2-[(E)-1-pyridin-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 127038136) has the molecular formula C21H18N4OS and a molecular weight of 374.47 g/mol. Its IUPAC name is (2Z)-3-(naphthalen-1-ylmethyl)-2-[(E)-1-pyridin-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z)-3-(naphthalen-1-ylmethyl)-2-[(E)-1-pyridin-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID127038136
Molecular FormulaC21H18N4OS
Molecular Weight374.47 g/mol
Exact Mass374.12
IUPAC Name(2Z)-3-(naphthalen-1-ylmethyl)-2-[(E)-1-pyridin-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESC/C(=N\N=C1/SCC(=O)N1Cc1cccc2ccccc12)c1ccccn1
InChIInChI=1S/C21H18N4OS/c1-15(19-11-4-5-12-22-19)23-24-21-25(20(26)14-27-21)13-17-9-6-8-16-7-2-3-10-18(16)17/h2-12H,13-14H2,1H3/b23-15+,24-21-
InChIKeyKGUBRWYOMKBPFB-MJWRSECNSA-N
XLogP4.09
TPSA57.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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)-3-(naphthalen-1-ylmethyl)-2-[(E)-1-pyridin-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2Z)-3-(naphthalen-1-ylmethyl)-2-[(E)-1-pyridin-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 127038136) is (2Z)-3-(naphthalen-1-ylmethyl)-2-[(E)-1-pyridin-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z)-3-(naphthalen-1-ylmethyl)-2-[(E)-1-pyridin-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z)-3-(naphthalen-1-ylmethyl)-2-[(E)-1-pyridin-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one is C/C(=N\N=C1/SCC(=O)N1Cc1cccc2ccccc12)c1ccccn1.
What is the InChIKey of (2Z)-3-(naphthalen-1-ylmethyl)-2-[(E)-1-pyridin-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is KGUBRWYOMKBPFB-MJWRSECNSA-N. The full InChI is InChI=1S/C21H18N4OS/c1-15(19-11-4-5-12-22-19)23-24-21-25(20(26)14-27-21)13-17-9-6-8-16-7-2-3-10-18(16)17/h2-12H,13-14H2,1H3/b23-15+,24-21-.
What are the key properties of (2Z)-3-(naphthalen-1-ylmethyl)-2-[(E)-1-pyridin-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
(2Z)-3-(naphthalen-1-ylmethyl)-2-[(E)-1-pyridin-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 374.47 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-3-(naphthalen-1-ylmethyl)-2-[(E)-1-pyridin-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 127038136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).