(5Z)-5-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylidene]-4-imino-1,3-thiazolidin-2-one

C15H9N3O2S2 — CID 138376730

IUPAC(5Z)-5-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylidene]-4-imino-1,3-thiazolidin-2-one
SMILES[H]/N=C1\NC(=O)S\C1=C/c1ccc(-c2nc3ccccc3s2)o1
InChIInChI=1S/C15H9N3O2S2/c16-13-12(22-15(19)18-13)7-8-5-6-10(20-8)14-17-9-3-1-2-4-11(9)21-14/h1-7H,(H2,16,18,19)/b12-7-
InChIKeyRTBWHMVFOMMXTE-GHXNOFRVSA-N
MW327.39 g/mol
LogP4.33
Rot. Bonds2

About (5Z)-5-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylidene]-4-imino-1,3-thiazolidin-2-one

(5Z)-5-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylidene]-4-imino-1,3-thiazolidin-2-one (PubChem CID 138376730) has the molecular formula C15H9N3O2S2 and a molecular weight of 327.39 g/mol. Its IUPAC name is (5Z)-5-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylidene]-4-imino-1,3-thiazolidin-2-one.

Molecular Properties

Compound Name(5Z)-5-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylidene]-4-imino-1,3-thiazolidin-2-one
PubChem CID138376730
Molecular FormulaC15H9N3O2S2
Molecular Weight327.39 g/mol
Exact Mass327.01
IUPAC Name(5Z)-5-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylidene]-4-imino-1,3-thiazolidin-2-one
SMILES[H]/N=C1\NC(=O)S\C1=C/c1ccc(-c2nc3ccccc3s2)o1
InChIInChI=1S/C15H9N3O2S2/c16-13-12(22-15(19)18-13)7-8-5-6-10(20-8)14-17-9-3-1-2-4-11(9)21-14/h1-7H,(H2,16,18,19)/b12-7-
InChIKeyRTBWHMVFOMMXTE-GHXNOFRVSA-N
XLogP4.33
TPSA78.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylidene]-4-imino-1,3-thiazolidin-2-one?
The IUPAC name of (5Z)-5-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylidene]-4-imino-1,3-thiazolidin-2-one (CID 138376730) is (5Z)-5-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylidene]-4-imino-1,3-thiazolidin-2-one.
What is the SMILES notation for (5Z)-5-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylidene]-4-imino-1,3-thiazolidin-2-one?
The canonical SMILES for (5Z)-5-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylidene]-4-imino-1,3-thiazolidin-2-one is [H]/N=C1\NC(=O)S\C1=C/c1ccc(-c2nc3ccccc3s2)o1.
What is the InChIKey of (5Z)-5-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylidene]-4-imino-1,3-thiazolidin-2-one?
The InChIKey is RTBWHMVFOMMXTE-GHXNOFRVSA-N. The full InChI is InChI=1S/C15H9N3O2S2/c16-13-12(22-15(19)18-13)7-8-5-6-10(20-8)14-17-9-3-1-2-4-11(9)21-14/h1-7H,(H2,16,18,19)/b12-7-.
What are the key properties of (5Z)-5-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylidene]-4-imino-1,3-thiazolidin-2-one?
(5Z)-5-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylidene]-4-imino-1,3-thiazolidin-2-one has a molecular weight of 327.39 g/mol, XLogP of 4.33, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylidene]-4-imino-1,3-thiazolidin-2-one is sourced from PubChem (CID 138376730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).