(2Z)-2-(cyclopentylidenehydrazinylidene)-3-[(3-nitrophenyl)methyl]-1,3-thiazolidin-4-one

C15H16N4O3S — CID 127051678

IUPAC(2Z)-2-(cyclopentylidenehydrazinylidene)-3-[(3-nitrophenyl)methyl]-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N\N=C2CCCC2)N1Cc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H16N4O3S/c20-14-10-23-15(17-16-12-5-1-2-6-12)18(14)9-11-4-3-7-13(8-11)19(21)22/h3-4,7-8H,1-2,5-6,9-10H2/b17-15-
InChIKeyVASJLDSTXFFTBO-ICFOKQHNSA-N
MW332.38 g/mol
LogP2.96
Rot. Bonds4

About (2Z)-2-(cyclopentylidenehydrazinylidene)-3-[(3-nitrophenyl)methyl]-1,3-thiazolidin-4-one

(2Z)-2-(cyclopentylidenehydrazinylidene)-3-[(3-nitrophenyl)methyl]-1,3-thiazolidin-4-one (PubChem CID 127051678) has the molecular formula C15H16N4O3S and a molecular weight of 332.38 g/mol. Its IUPAC name is (2Z)-2-(cyclopentylidenehydrazinylidene)-3-[(3-nitrophenyl)methyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z)-2-(cyclopentylidenehydrazinylidene)-3-[(3-nitrophenyl)methyl]-1,3-thiazolidin-4-one
PubChem CID127051678
Molecular FormulaC15H16N4O3S
Molecular Weight332.38 g/mol
Exact Mass332.09
IUPAC Name(2Z)-2-(cyclopentylidenehydrazinylidene)-3-[(3-nitrophenyl)methyl]-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N\N=C2CCCC2)N1Cc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H16N4O3S/c20-14-10-23-15(17-16-12-5-1-2-6-12)18(14)9-11-4-3-7-13(8-11)19(21)22/h3-4,7-8H,1-2,5-6,9-10H2/b17-15-
InChIKeyVASJLDSTXFFTBO-ICFOKQHNSA-N
XLogP2.96
TPSA88.17 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', '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-[(3-nitrophenyl)methyl]-1,3-thiazolidin-4-one?
The IUPAC name of (2Z)-2-(cyclopentylidenehydrazinylidene)-3-[(3-nitrophenyl)methyl]-1,3-thiazolidin-4-one (CID 127051678) is (2Z)-2-(cyclopentylidenehydrazinylidene)-3-[(3-nitrophenyl)methyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z)-2-(cyclopentylidenehydrazinylidene)-3-[(3-nitrophenyl)methyl]-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z)-2-(cyclopentylidenehydrazinylidene)-3-[(3-nitrophenyl)methyl]-1,3-thiazolidin-4-one is O=C1CS/C(=N\N=C2CCCC2)N1Cc1cccc([N+](=O)[O-])c1.
What is the InChIKey of (2Z)-2-(cyclopentylidenehydrazinylidene)-3-[(3-nitrophenyl)methyl]-1,3-thiazolidin-4-one?
The InChIKey is VASJLDSTXFFTBO-ICFOKQHNSA-N. The full InChI is InChI=1S/C15H16N4O3S/c20-14-10-23-15(17-16-12-5-1-2-6-12)18(14)9-11-4-3-7-13(8-11)19(21)22/h3-4,7-8H,1-2,5-6,9-10H2/b17-15-.
What are the key properties of (2Z)-2-(cyclopentylidenehydrazinylidene)-3-[(3-nitrophenyl)methyl]-1,3-thiazolidin-4-one?
(2Z)-2-(cyclopentylidenehydrazinylidene)-3-[(3-nitrophenyl)methyl]-1,3-thiazolidin-4-one has a molecular weight of 332.38 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(cyclopentylidenehydrazinylidene)-3-[(3-nitrophenyl)methyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 127051678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).