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

C21H23N3OS — CID 127037792

IUPAC(2Z)-2-[(E)-(2-methylcyclohexylidene)hydrazinylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one
SMILESCC1CCCC/C1=N\N=C1/SCC(=O)N1Cc1cccc2ccccc12
InChIInChI=1S/C21H23N3OS/c1-15-7-2-5-12-19(15)22-23-21-24(20(25)14-26-21)13-17-10-6-9-16-8-3-4-11-18(16)17/h3-4,6,8-11,15H,2,5,7,12-14H2,1H3/b22-19+,23-21-
InChIKeyRYIWGCODODQTKJ-QSJAFLSSSA-N
MW365.50 g/mol
LogP4.84
Rot. Bonds3

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

(2Z)-2-[(E)-(2-methylcyclohexylidene)hydrazinylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one (PubChem CID 127037792) has the molecular formula C21H23N3OS and a molecular weight of 365.50 g/mol. Its IUPAC name is (2Z)-2-[(E)-(2-methylcyclohexylidene)hydrazinylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z)-2-[(E)-(2-methylcyclohexylidene)hydrazinylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one
PubChem CID127037792
Molecular FormulaC21H23N3OS
Molecular Weight365.50 g/mol
Exact Mass365.16
IUPAC Name(2Z)-2-[(E)-(2-methylcyclohexylidene)hydrazinylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one
SMILESCC1CCCC/C1=N\N=C1/SCC(=O)N1Cc1cccc2ccccc12
InChIInChI=1S/C21H23N3OS/c1-15-7-2-5-12-19(15)22-23-21-24(20(25)14-26-21)13-17-10-6-9-16-8-3-4-11-18(16)17/h3-4,6,8-11,15H,2,5,7,12-14H2,1H3/b22-19+,23-21-
InChIKeyRYIWGCODODQTKJ-QSJAFLSSSA-N
XLogP4.84
TPSA45.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 54.84
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)-(2-methylcyclohexylidene)hydrazinylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one?
The IUPAC name of (2Z)-2-[(E)-(2-methylcyclohexylidene)hydrazinylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one (CID 127037792) is (2Z)-2-[(E)-(2-methylcyclohexylidene)hydrazinylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z)-2-[(E)-(2-methylcyclohexylidene)hydrazinylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z)-2-[(E)-(2-methylcyclohexylidene)hydrazinylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one is CC1CCCC/C1=N\N=C1/SCC(=O)N1Cc1cccc2ccccc12.
What is the InChIKey of (2Z)-2-[(E)-(2-methylcyclohexylidene)hydrazinylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one?
The InChIKey is RYIWGCODODQTKJ-QSJAFLSSSA-N. The full InChI is InChI=1S/C21H23N3OS/c1-15-7-2-5-12-19(15)22-23-21-24(20(25)14-26-21)13-17-10-6-9-16-8-3-4-11-18(16)17/h3-4,6,8-11,15H,2,5,7,12-14H2,1H3/b22-19+,23-21-.
What are the key properties of (2Z)-2-[(E)-(2-methylcyclohexylidene)hydrazinylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one?
(2Z)-2-[(E)-(2-methylcyclohexylidene)hydrazinylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one has a molecular weight of 365.50 g/mol, XLogP of 4.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(E)-(2-methylcyclohexylidene)hydrazinylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 127037792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).