(2E)-2-(1,3-benzoxazol-2-ylmethylidene)-1,3-thiazolidin-4-one

C11H8N2O2S — CID 135399634

IUPAC(2E)-2-(1,3-benzoxazol-2-ylmethylidene)-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=C/c2nc3ccccc3o2)N1
InChIInChI=1S/C11H8N2O2S/c14-9-6-16-11(13-9)5-10-12-7-3-1-2-4-8(7)15-10/h1-5H,6H2,(H,13,14)/b11-5+
InChIKeyMRJKHXFTRUAJBK-VZUCSPMQSA-N
MW232.26 g/mol
LogP1.99
Rot. Bonds1

About (2E)-2-(1,3-benzoxazol-2-ylmethylidene)-1,3-thiazolidin-4-one

(2E)-2-(1,3-benzoxazol-2-ylmethylidene)-1,3-thiazolidin-4-one (PubChem CID 135399634) has the molecular formula C11H8N2O2S and a molecular weight of 232.26 g/mol. Its IUPAC name is (2E)-2-(1,3-benzoxazol-2-ylmethylidene)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E)-2-(1,3-benzoxazol-2-ylmethylidene)-1,3-thiazolidin-4-one
PubChem CID135399634
Molecular FormulaC11H8N2O2S
Molecular Weight232.26 g/mol
Exact Mass232.03
IUPAC Name(2E)-2-(1,3-benzoxazol-2-ylmethylidene)-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=C/c2nc3ccccc3o2)N1
InChIInChI=1S/C11H8N2O2S/c14-9-6-16-11(13-9)5-10-12-7-3-1-2-4-8(7)15-10/h1-5H,6H2,(H,13,14)/b11-5+
InChIKeyMRJKHXFTRUAJBK-VZUCSPMQSA-N
XLogP1.99
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-(1,3-benzoxazol-2-ylmethylidene)-1,3-thiazolidin-4-one?
The IUPAC name of (2E)-2-(1,3-benzoxazol-2-ylmethylidene)-1,3-thiazolidin-4-one (CID 135399634) is (2E)-2-(1,3-benzoxazol-2-ylmethylidene)-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E)-2-(1,3-benzoxazol-2-ylmethylidene)-1,3-thiazolidin-4-one?
The canonical SMILES for (2E)-2-(1,3-benzoxazol-2-ylmethylidene)-1,3-thiazolidin-4-one is O=C1CS/C(=C/c2nc3ccccc3o2)N1.
What is the InChIKey of (2E)-2-(1,3-benzoxazol-2-ylmethylidene)-1,3-thiazolidin-4-one?
The InChIKey is MRJKHXFTRUAJBK-VZUCSPMQSA-N. The full InChI is InChI=1S/C11H8N2O2S/c14-9-6-16-11(13-9)5-10-12-7-3-1-2-4-8(7)15-10/h1-5H,6H2,(H,13,14)/b11-5+.
What are the key properties of (2E)-2-(1,3-benzoxazol-2-ylmethylidene)-1,3-thiazolidin-4-one?
(2E)-2-(1,3-benzoxazol-2-ylmethylidene)-1,3-thiazolidin-4-one has a molecular weight of 232.26 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(1,3-benzoxazol-2-ylmethylidene)-1,3-thiazolidin-4-one is sourced from PubChem (CID 135399634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).