(2Z)-2-(2-oxopropylidene)-1,3-thiazolidin-4-one

C6H7NO2S — CID 138511626

IUPAC(2Z)-2-(2-oxopropylidene)-1,3-thiazolidin-4-one
SMILESCC(=O)/C=C1/NC(=O)CS1
InChIInChI=1S/C6H7NO2S/c1-4(8)2-6-7-5(9)3-10-6/h2H,3H2,1H3,(H,7,9)/b6-2-
InChIKeyOBXFMFQSWVMTHK-KXFIGUGUSA-N
MW157.19 g/mol
LogP0.28
Rot. Bonds1

About (2Z)-2-(2-oxopropylidene)-1,3-thiazolidin-4-one

(2Z)-2-(2-oxopropylidene)-1,3-thiazolidin-4-one (PubChem CID 138511626) has the molecular formula C6H7NO2S and a molecular weight of 157.19 g/mol. Its IUPAC name is (2Z)-2-(2-oxopropylidene)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z)-2-(2-oxopropylidene)-1,3-thiazolidin-4-one
PubChem CID138511626
Molecular FormulaC6H7NO2S
Molecular Weight157.19 g/mol
Exact Mass157.02
IUPAC Name(2Z)-2-(2-oxopropylidene)-1,3-thiazolidin-4-one
SMILESCC(=O)/C=C1/NC(=O)CS1
InChIInChI=1S/C6H7NO2S/c1-4(8)2-6-7-5(9)3-10-6/h2H,3H2,1H3,(H,7,9)/b6-2-
InChIKeyOBXFMFQSWVMTHK-KXFIGUGUSA-N
XLogP0.28
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.19
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(2-oxopropylidene)-1,3-thiazolidin-4-one?
The IUPAC name of (2Z)-2-(2-oxopropylidene)-1,3-thiazolidin-4-one (CID 138511626) is (2Z)-2-(2-oxopropylidene)-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z)-2-(2-oxopropylidene)-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z)-2-(2-oxopropylidene)-1,3-thiazolidin-4-one is CC(=O)/C=C1/NC(=O)CS1.
What is the InChIKey of (2Z)-2-(2-oxopropylidene)-1,3-thiazolidin-4-one?
The InChIKey is OBXFMFQSWVMTHK-KXFIGUGUSA-N. The full InChI is InChI=1S/C6H7NO2S/c1-4(8)2-6-7-5(9)3-10-6/h2H,3H2,1H3,(H,7,9)/b6-2-.
What are the key properties of (2Z)-2-(2-oxopropylidene)-1,3-thiazolidin-4-one?
(2Z)-2-(2-oxopropylidene)-1,3-thiazolidin-4-one has a molecular weight of 157.19 g/mol, XLogP of 0.28, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(2-oxopropylidene)-1,3-thiazolidin-4-one is sourced from PubChem (CID 138511626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).