(5E)-5-(furan-2-ylmethylidene)-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one

C11H7N3O2S2 — CID 7918703

IUPAC(5E)-5-(furan-2-ylmethylidene)-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one
SMILES[H]/N=C1\S/C(=C/c2ccco2)C(=O)N1c1nccs1
InChIInChI=1S/C11H7N3O2S2/c12-10-14(11-13-3-5-17-11)9(15)8(18-10)6-7-2-1-4-16-7/h1-6,12H/b8-6+,12-10-
InChIKeyRJHAJQSWEUEPCY-FDAFXCBZSA-N
MW277.33 g/mol
LogP2.79
Rot. Bonds2

About (5E)-5-(furan-2-ylmethylidene)-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one

(5E)-5-(furan-2-ylmethylidene)-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one (PubChem CID 7918703) has the molecular formula C11H7N3O2S2 and a molecular weight of 277.33 g/mol. Its IUPAC name is (5E)-5-(furan-2-ylmethylidene)-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-5-(furan-2-ylmethylidene)-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one
PubChem CID7918703
Molecular FormulaC11H7N3O2S2
Molecular Weight277.33 g/mol
Exact Mass277.00
IUPAC Name(5E)-5-(furan-2-ylmethylidene)-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one
SMILES[H]/N=C1\S/C(=C/c2ccco2)C(=O)N1c1nccs1
InChIInChI=1S/C11H7N3O2S2/c12-10-14(11-13-3-5-17-11)9(15)8(18-10)6-7-2-1-4-16-7/h1-6,12H/b8-6+,12-10-
InChIKeyRJHAJQSWEUEPCY-FDAFXCBZSA-N
XLogP2.79
TPSA70.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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 (5E)-5-(furan-2-ylmethylidene)-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-5-(furan-2-ylmethylidene)-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one (CID 7918703) is (5E)-5-(furan-2-ylmethylidene)-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-5-(furan-2-ylmethylidene)-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-5-(furan-2-ylmethylidene)-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one is [H]/N=C1\S/C(=C/c2ccco2)C(=O)N1c1nccs1.
What is the InChIKey of (5E)-5-(furan-2-ylmethylidene)-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one?
The InChIKey is RJHAJQSWEUEPCY-FDAFXCBZSA-N. The full InChI is InChI=1S/C11H7N3O2S2/c12-10-14(11-13-3-5-17-11)9(15)8(18-10)6-7-2-1-4-16-7/h1-6,12H/b8-6+,12-10-.
What are the key properties of (5E)-5-(furan-2-ylmethylidene)-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one?
(5E)-5-(furan-2-ylmethylidene)-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one has a molecular weight of 277.33 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-(furan-2-ylmethylidene)-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 7918703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).