N-(2-morpholin-4-ylphenyl)-2-[4-oxo-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-5-yl]acetamide

C18H23N5O3S — CID 135977987

IUPACN-(2-morpholin-4-ylphenyl)-2-[4-oxo-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-5-yl]acetamide
SMILESCC(C)=NN=C1NC(=O)C(CC(=O)Nc2ccccc2N2CCOCC2)S1
InChIInChI=1S/C18H23N5O3S/c1-12(2)21-22-18-20-17(25)15(27-18)11-16(24)19-13-5-3-4-6-14(13)23-7-9-26-10-8-23/h3-6,15H,7-11H2,1-2H3,(H,19,24)(H,20,22,25)
InChIKeyFYFDIWQUJABSCR-UHFFFAOYSA-N
MW389.48 g/mol
LogP1.84
Rot. Bonds5

About N-(2-morpholin-4-ylphenyl)-2-[4-oxo-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-5-yl]acetamide

N-(2-morpholin-4-ylphenyl)-2-[4-oxo-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-5-yl]acetamide (PubChem CID 135977987) has the molecular formula C18H23N5O3S and a molecular weight of 389.48 g/mol. Its IUPAC name is N-(2-morpholin-4-ylphenyl)-2-[4-oxo-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylphenyl)-2-[4-oxo-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-5-yl]acetamide
PubChem CID135977987
Molecular FormulaC18H23N5O3S
Molecular Weight389.48 g/mol
Exact Mass389.15
IUPAC NameN-(2-morpholin-4-ylphenyl)-2-[4-oxo-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-5-yl]acetamide
SMILESCC(C)=NN=C1NC(=O)C(CC(=O)Nc2ccccc2N2CCOCC2)S1
InChIInChI=1S/C18H23N5O3S/c1-12(2)21-22-18-20-17(25)15(27-18)11-16(24)19-13-5-3-4-6-14(13)23-7-9-26-10-8-23/h3-6,15H,7-11H2,1-2H3,(H,19,24)(H,20,22,25)
InChIKeyFYFDIWQUJABSCR-UHFFFAOYSA-N
XLogP1.84
TPSA95.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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 N-(2-morpholin-4-ylphenyl)-2-[4-oxo-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-5-yl]acetamide?
The IUPAC name of N-(2-morpholin-4-ylphenyl)-2-[4-oxo-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-5-yl]acetamide (CID 135977987) is N-(2-morpholin-4-ylphenyl)-2-[4-oxo-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-5-yl]acetamide.
What is the SMILES notation for N-(2-morpholin-4-ylphenyl)-2-[4-oxo-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-5-yl]acetamide?
The canonical SMILES for N-(2-morpholin-4-ylphenyl)-2-[4-oxo-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-5-yl]acetamide is CC(C)=NN=C1NC(=O)C(CC(=O)Nc2ccccc2N2CCOCC2)S1.
What is the InChIKey of N-(2-morpholin-4-ylphenyl)-2-[4-oxo-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-5-yl]acetamide?
The InChIKey is FYFDIWQUJABSCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3S/c1-12(2)21-22-18-20-17(25)15(27-18)11-16(24)19-13-5-3-4-6-14(13)23-7-9-26-10-8-23/h3-6,15H,7-11H2,1-2H3,(H,19,24)(H,20,22,25).
What are the key properties of N-(2-morpholin-4-ylphenyl)-2-[4-oxo-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-5-yl]acetamide?
N-(2-morpholin-4-ylphenyl)-2-[4-oxo-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 389.48 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylphenyl)-2-[4-oxo-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 135977987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).