(2Z)-2-(cyclopentylidenehydrazinylidene)-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one

C19H19N3OS — CID 127037789

IUPAC(2Z)-2-(cyclopentylidenehydrazinylidene)-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N\N=C2CCCC2)N1Cc1cccc2ccccc12
InChIInChI=1S/C19H19N3OS/c23-18-13-24-19(21-20-16-9-2-3-10-16)22(18)12-15-8-5-7-14-6-1-4-11-17(14)15/h1,4-8,11H,2-3,9-10,12-13H2/b21-19-
InChIKeyZZVVWWQMDHBMRA-VZCXRCSSSA-N
MW337.45 g/mol
LogP4.20
Rot. Bonds3

About (2Z)-2-(cyclopentylidenehydrazinylidene)-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one

(2Z)-2-(cyclopentylidenehydrazinylidene)-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one (PubChem CID 127037789) has the molecular formula C19H19N3OS and a molecular weight of 337.45 g/mol. Its IUPAC name is (2Z)-2-(cyclopentylidenehydrazinylidene)-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z)-2-(cyclopentylidenehydrazinylidene)-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one
PubChem CID127037789
Molecular FormulaC19H19N3OS
Molecular Weight337.45 g/mol
Exact Mass337.12
IUPAC Name(2Z)-2-(cyclopentylidenehydrazinylidene)-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N\N=C2CCCC2)N1Cc1cccc2ccccc12
InChIInChI=1S/C19H19N3OS/c23-18-13-24-19(21-20-16-9-2-3-10-16)22(18)12-15-8-5-7-14-6-1-4-11-17(14)15/h1,4-8,11H,2-3,9-10,12-13H2/b21-19-
InChIKeyZZVVWWQMDHBMRA-VZCXRCSSSA-N
XLogP4.20
TPSA45.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 54.20
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-(cyclopentylidenehydrazinylidene)-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one?
The IUPAC name of (2Z)-2-(cyclopentylidenehydrazinylidene)-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one (CID 127037789) is (2Z)-2-(cyclopentylidenehydrazinylidene)-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z)-2-(cyclopentylidenehydrazinylidene)-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z)-2-(cyclopentylidenehydrazinylidene)-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one is O=C1CS/C(=N\N=C2CCCC2)N1Cc1cccc2ccccc12.
What is the InChIKey of (2Z)-2-(cyclopentylidenehydrazinylidene)-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one?
The InChIKey is ZZVVWWQMDHBMRA-VZCXRCSSSA-N. The full InChI is InChI=1S/C19H19N3OS/c23-18-13-24-19(21-20-16-9-2-3-10-16)22(18)12-15-8-5-7-14-6-1-4-11-17(14)15/h1,4-8,11H,2-3,9-10,12-13H2/b21-19-.
What are the key properties of (2Z)-2-(cyclopentylidenehydrazinylidene)-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one?
(2Z)-2-(cyclopentylidenehydrazinylidene)-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one has a molecular weight of 337.45 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(cyclopentylidenehydrazinylidene)-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 127037789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).