(2Z,5R)-3-(naphthalen-1-ylmethyl)-5-propyl-2-[(Z)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one

C22H21N3OS2 — CID 7403919

IUPAC(2Z,5R)-3-(naphthalen-1-ylmethyl)-5-propyl-2-[(Z)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCCC[C@H]1S/C(=N\N=C/c2cccs2)N(Cc2cccc3ccccc23)C1=O
InChIInChI=1S/C22H21N3OS2/c1-2-7-20-21(26)25(22(28-20)24-23-14-18-11-6-13-27-18)15-17-10-5-9-16-8-3-4-12-19(16)17/h3-6,8-14,20H,2,7,15H2,1H3/b23-14-,24-22-/t20-/m1/s1
InChIKeyDCQBXIAHENZUTI-XRSIEYGASA-N
MW407.56 g/mol
LogP5.54
Rot. Bonds6

About (2Z,5R)-3-(naphthalen-1-ylmethyl)-5-propyl-2-[(Z)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one

(2Z,5R)-3-(naphthalen-1-ylmethyl)-5-propyl-2-[(Z)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 7403919) has the molecular formula C22H21N3OS2 and a molecular weight of 407.56 g/mol. Its IUPAC name is (2Z,5R)-3-(naphthalen-1-ylmethyl)-5-propyl-2-[(Z)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z,5R)-3-(naphthalen-1-ylmethyl)-5-propyl-2-[(Z)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID7403919
Molecular FormulaC22H21N3OS2
Molecular Weight407.56 g/mol
Exact Mass407.11
IUPAC Name(2Z,5R)-3-(naphthalen-1-ylmethyl)-5-propyl-2-[(Z)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCCC[C@H]1S/C(=N\N=C/c2cccs2)N(Cc2cccc3ccccc23)C1=O
InChIInChI=1S/C22H21N3OS2/c1-2-7-20-21(26)25(22(28-20)24-23-14-18-11-6-13-27-18)15-17-10-5-9-16-8-3-4-12-19(16)17/h3-6,8-14,20H,2,7,15H2,1H3/b23-14-,24-22-/t20-/m1/s1
InChIKeyDCQBXIAHENZUTI-XRSIEYGASA-N
XLogP5.54
TPSA45.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.56
LogP ≤ 55.54
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,5R)-3-(naphthalen-1-ylmethyl)-5-propyl-2-[(Z)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2Z,5R)-3-(naphthalen-1-ylmethyl)-5-propyl-2-[(Z)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 7403919) is (2Z,5R)-3-(naphthalen-1-ylmethyl)-5-propyl-2-[(Z)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z,5R)-3-(naphthalen-1-ylmethyl)-5-propyl-2-[(Z)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z,5R)-3-(naphthalen-1-ylmethyl)-5-propyl-2-[(Z)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one is CCC[C@H]1S/C(=N\N=C/c2cccs2)N(Cc2cccc3ccccc23)C1=O.
What is the InChIKey of (2Z,5R)-3-(naphthalen-1-ylmethyl)-5-propyl-2-[(Z)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is DCQBXIAHENZUTI-XRSIEYGASA-N. The full InChI is InChI=1S/C22H21N3OS2/c1-2-7-20-21(26)25(22(28-20)24-23-14-18-11-6-13-27-18)15-17-10-5-9-16-8-3-4-12-19(16)17/h3-6,8-14,20H,2,7,15H2,1H3/b23-14-,24-22-/t20-/m1/s1.
What are the key properties of (2Z,5R)-3-(naphthalen-1-ylmethyl)-5-propyl-2-[(Z)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
(2Z,5R)-3-(naphthalen-1-ylmethyl)-5-propyl-2-[(Z)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 407.56 g/mol, XLogP of 5.54, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5R)-3-(naphthalen-1-ylmethyl)-5-propyl-2-[(Z)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 7403919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).