2-[(2Z)-4-oxo-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-5-yl]-N-phenylacetamide

C14H16N4O2S — CID 137241419

IUPAC2-[(2Z)-4-oxo-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-5-yl]-N-phenylacetamide
SMILESCC(C)=N/N=C1/NC(=O)C(CC(=O)Nc2ccccc2)S1
InChIInChI=1S/C14H16N4O2S/c1-9(2)17-18-14-16-13(20)11(21-14)8-12(19)15-10-6-4-3-5-7-10/h3-7,11H,8H2,1-2H3,(H,15,19)(H,16,18,20)
InChIKeyMUGOTNWCTZMBLV-UHFFFAOYSA-N
MW304.38 g/mol
LogP2.00
Rot. Bonds4

About 2-[(2Z)-4-oxo-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-5-yl]-N-phenylacetamide

2-[(2Z)-4-oxo-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-5-yl]-N-phenylacetamide (PubChem CID 137241419) has the molecular formula C14H16N4O2S and a molecular weight of 304.38 g/mol. Its IUPAC name is 2-[(2Z)-4-oxo-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-5-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[(2Z)-4-oxo-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-5-yl]-N-phenylacetamide
PubChem CID137241419
Molecular FormulaC14H16N4O2S
Molecular Weight304.38 g/mol
Exact Mass304.10
IUPAC Name2-[(2Z)-4-oxo-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-5-yl]-N-phenylacetamide
SMILESCC(C)=N/N=C1/NC(=O)C(CC(=O)Nc2ccccc2)S1
InChIInChI=1S/C14H16N4O2S/c1-9(2)17-18-14-16-13(20)11(21-14)8-12(19)15-10-6-4-3-5-7-10/h3-7,11H,8H2,1-2H3,(H,15,19)(H,16,18,20)
InChIKeyMUGOTNWCTZMBLV-UHFFFAOYSA-N
XLogP2.00
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2Z)-4-oxo-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-5-yl]-N-phenylacetamide?
The IUPAC name of 2-[(2Z)-4-oxo-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-5-yl]-N-phenylacetamide (CID 137241419) is 2-[(2Z)-4-oxo-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-5-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[(2Z)-4-oxo-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-5-yl]-N-phenylacetamide?
The canonical SMILES for 2-[(2Z)-4-oxo-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-5-yl]-N-phenylacetamide is CC(C)=N/N=C1/NC(=O)C(CC(=O)Nc2ccccc2)S1.
What is the InChIKey of 2-[(2Z)-4-oxo-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-5-yl]-N-phenylacetamide?
The InChIKey is MUGOTNWCTZMBLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2S/c1-9(2)17-18-14-16-13(20)11(21-14)8-12(19)15-10-6-4-3-5-7-10/h3-7,11H,8H2,1-2H3,(H,15,19)(H,16,18,20).
What are the key properties of 2-[(2Z)-4-oxo-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-5-yl]-N-phenylacetamide?
2-[(2Z)-4-oxo-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-5-yl]-N-phenylacetamide has a molecular weight of 304.38 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2Z)-4-oxo-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-5-yl]-N-phenylacetamide is sourced from PubChem (CID 137241419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).