(2Z)-3-(furan-2-ylmethyl)-2-[(Z)-pyridin-3-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one

C14H12N4O2S — CID 127031375

IUPAC(2Z)-3-(furan-2-ylmethyl)-2-[(Z)-pyridin-3-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N\N=C/c2cccnc2)N1Cc1ccco1
InChIInChI=1S/C14H12N4O2S/c19-13-10-21-14(18(13)9-12-4-2-6-20-12)17-16-8-11-3-1-5-15-7-11/h1-8H,9-10H2/b16-8-,17-14-
InChIKeyAQJDCVPICGYYSV-QQMIWNJYSA-N
MW300.34 g/mol
LogP2.14
Rot. Bonds4

About (2Z)-3-(furan-2-ylmethyl)-2-[(Z)-pyridin-3-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one

(2Z)-3-(furan-2-ylmethyl)-2-[(Z)-pyridin-3-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 127031375) has the molecular formula C14H12N4O2S and a molecular weight of 300.34 g/mol. Its IUPAC name is (2Z)-3-(furan-2-ylmethyl)-2-[(Z)-pyridin-3-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z)-3-(furan-2-ylmethyl)-2-[(Z)-pyridin-3-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID127031375
Molecular FormulaC14H12N4O2S
Molecular Weight300.34 g/mol
Exact Mass300.07
IUPAC Name(2Z)-3-(furan-2-ylmethyl)-2-[(Z)-pyridin-3-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N\N=C/c2cccnc2)N1Cc1ccco1
InChIInChI=1S/C14H12N4O2S/c19-13-10-21-14(18(13)9-12-4-2-6-20-12)17-16-8-11-3-1-5-15-7-11/h1-8H,9-10H2/b16-8-,17-14-
InChIKeyAQJDCVPICGYYSV-QQMIWNJYSA-N
XLogP2.14
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-(furan-2-ylmethyl)-2-[(Z)-pyridin-3-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2Z)-3-(furan-2-ylmethyl)-2-[(Z)-pyridin-3-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 127031375) is (2Z)-3-(furan-2-ylmethyl)-2-[(Z)-pyridin-3-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z)-3-(furan-2-ylmethyl)-2-[(Z)-pyridin-3-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z)-3-(furan-2-ylmethyl)-2-[(Z)-pyridin-3-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one is O=C1CS/C(=N\N=C/c2cccnc2)N1Cc1ccco1.
What is the InChIKey of (2Z)-3-(furan-2-ylmethyl)-2-[(Z)-pyridin-3-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is AQJDCVPICGYYSV-QQMIWNJYSA-N. The full InChI is InChI=1S/C14H12N4O2S/c19-13-10-21-14(18(13)9-12-4-2-6-20-12)17-16-8-11-3-1-5-15-7-11/h1-8H,9-10H2/b16-8-,17-14-.
What are the key properties of (2Z)-3-(furan-2-ylmethyl)-2-[(Z)-pyridin-3-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
(2Z)-3-(furan-2-ylmethyl)-2-[(Z)-pyridin-3-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 300.34 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-3-(furan-2-ylmethyl)-2-[(Z)-pyridin-3-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 127031375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).