(5Z)-2-phenylimino-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one

C14H10N2OS2 — CID 135518515

IUPAC(5Z)-2-phenylimino-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\c2ccccc2)S/C1=C\c1cccs1
InChIInChI=1S/C14H10N2OS2/c17-13-12(9-11-7-4-8-18-11)19-14(16-13)15-10-5-2-1-3-6-10/h1-9H,(H,15,16,17)/b12-9-
InChIKeyIJDVDZUKMOBGCV-XFXZXTDPSA-N
MW286.38 g/mol
LogP3.64
Rot. Bonds2

About (5Z)-2-phenylimino-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one

(5Z)-2-phenylimino-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one (PubChem CID 135518515) has the molecular formula C14H10N2OS2 and a molecular weight of 286.38 g/mol. Its IUPAC name is (5Z)-2-phenylimino-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-2-phenylimino-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
PubChem CID135518515
Molecular FormulaC14H10N2OS2
Molecular Weight286.38 g/mol
Exact Mass286.02
IUPAC Name(5Z)-2-phenylimino-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\c2ccccc2)S/C1=C\c1cccs1
InChIInChI=1S/C14H10N2OS2/c17-13-12(9-11-7-4-8-18-11)19-14(16-13)15-10-5-2-1-3-6-10/h1-9H,(H,15,16,17)/b12-9-
InChIKeyIJDVDZUKMOBGCV-XFXZXTDPSA-N
XLogP3.64
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_rhod_C(13)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5Z)-2-phenylimino-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-2-phenylimino-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one (CID 135518515) is (5Z)-2-phenylimino-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-2-phenylimino-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-2-phenylimino-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one is O=C1N/C(=N\c2ccccc2)S/C1=C\c1cccs1.
What is the InChIKey of (5Z)-2-phenylimino-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one?
The InChIKey is IJDVDZUKMOBGCV-XFXZXTDPSA-N. The full InChI is InChI=1S/C14H10N2OS2/c17-13-12(9-11-7-4-8-18-11)19-14(16-13)15-10-5-2-1-3-6-10/h1-9H,(H,15,16,17)/b12-9-.
What are the key properties of (5Z)-2-phenylimino-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one?
(5Z)-2-phenylimino-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one has a molecular weight of 286.38 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-phenylimino-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one is sourced from PubChem (CID 135518515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).