N-[[(2R)-oxolan-2-yl]methyl]-2-[(2E,5R)-4-oxo-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-5-yl]acetamide

C13H20N4O3S — CID 135956090

IUPACN-[[(2R)-oxolan-2-yl]methyl]-2-[(2E,5R)-4-oxo-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-5-yl]acetamide
SMILESCC(C)=N/N=C1\NC(=O)[C@@H](CC(=O)NC[C@H]2CCCO2)S1
InChIInChI=1S/C13H20N4O3S/c1-8(2)16-17-13-15-12(19)10(21-13)6-11(18)14-7-9-4-3-5-20-9/h9-10H,3-7H2,1-2H3,(H,14,18)(H,15,17,19)/t9-,10-/m1/s1
InChIKeyQBDMTWXZHPWCEQ-NXEZZACHSA-N
MW312.40 g/mol
LogP0.66
Rot. Bonds5

About N-[[(2R)-oxolan-2-yl]methyl]-2-[(2E,5R)-4-oxo-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-5-yl]acetamide

N-[[(2R)-oxolan-2-yl]methyl]-2-[(2E,5R)-4-oxo-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-5-yl]acetamide (PubChem CID 135956090) has the molecular formula C13H20N4O3S and a molecular weight of 312.40 g/mol. Its IUPAC name is N-[[(2R)-oxolan-2-yl]methyl]-2-[(2E,5R)-4-oxo-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

Compound NameN-[[(2R)-oxolan-2-yl]methyl]-2-[(2E,5R)-4-oxo-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-5-yl]acetamide
PubChem CID135956090
Molecular FormulaC13H20N4O3S
Molecular Weight312.40 g/mol
Exact Mass312.13
IUPAC NameN-[[(2R)-oxolan-2-yl]methyl]-2-[(2E,5R)-4-oxo-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-5-yl]acetamide
SMILESCC(C)=N/N=C1\NC(=O)[C@@H](CC(=O)NC[C@H]2CCCO2)S1
InChIInChI=1S/C13H20N4O3S/c1-8(2)16-17-13-15-12(19)10(21-13)6-11(18)14-7-9-4-3-5-20-9/h9-10H,3-7H2,1-2H3,(H,14,18)(H,15,17,19)/t9-,10-/m1/s1
InChIKeyQBDMTWXZHPWCEQ-NXEZZACHSA-N
XLogP0.66
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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Related Compounds

N-[(4-chlorophenyl)methyl]-2-[(5R)-4-oxo-2-[[(2S)-oxolan-2-yl]methylimino]-1,3-thiazolidin-5-yl]acetamide
CID 135849439
N-[(4-chlorophenyl)methyl]-2-[(5R)-4-oxo-2-[[(2R)-oxolan-2-yl]methylimino]-1,3-thiazolidin-5-yl]acetamide
CID 135849441
N-[(4-methoxyphenyl)methyl]-2-[(2E)-4-oxo-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-5-yl]acetamide
CID 135922742
N-(4-bromophenyl)-2-[(2E,5S)-4-oxo-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-5-yl]acetamide
CID 136671598
N-(2,5-dimethylphenyl)-2-[(2E)-4-oxo-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-5-yl]acetamide
CID 135641404
2-(oxolan-2-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 110696563
N-[2-(4-methoxyphenyl)ethyl]-2-[(5R)-4-oxo-2-[[(2R)-oxolan-2-yl]methylimino]-1,3-thiazolidin-5-yl]acetamide
CID 135828349
N-ethyl-2-[(5R)-4-oxo-2-[(Z)-1-phenylethylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide
CID 137085060
2-[(5S)-4-oxo-2-[[(2S)-oxolan-2-yl]methylimino]-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 135673219
2-[(2Z,5R)-2-[(Z)-butan-2-ylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetate
CID 135568896
2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetic acid;N-(oxolan-2-ylmethyl)butanamide
CID 20980003
N-(4-ethoxyphenyl)-2-[(2Z,5R)-4-oxo-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-5-yl]acetamide
CID 136661837

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-oxolan-2-yl]methyl]-2-[(2E,5R)-4-oxo-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-5-yl]acetamide?
The IUPAC name of N-[[(2R)-oxolan-2-yl]methyl]-2-[(2E,5R)-4-oxo-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-5-yl]acetamide (CID 135956090) is N-[[(2R)-oxolan-2-yl]methyl]-2-[(2E,5R)-4-oxo-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-5-yl]acetamide.
What is the SMILES notation for N-[[(2R)-oxolan-2-yl]methyl]-2-[(2E,5R)-4-oxo-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-5-yl]acetamide?
The canonical SMILES for N-[[(2R)-oxolan-2-yl]methyl]-2-[(2E,5R)-4-oxo-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-5-yl]acetamide is CC(C)=N/N=C1\NC(=O)[C@@H](CC(=O)NC[C@H]2CCCO2)S1.
What is the InChIKey of N-[[(2R)-oxolan-2-yl]methyl]-2-[(2E,5R)-4-oxo-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-5-yl]acetamide?
The InChIKey is QBDMTWXZHPWCEQ-NXEZZACHSA-N. The full InChI is InChI=1S/C13H20N4O3S/c1-8(2)16-17-13-15-12(19)10(21-13)6-11(18)14-7-9-4-3-5-20-9/h9-10H,3-7H2,1-2H3,(H,14,18)(H,15,17,19)/t9-,10-/m1/s1.
What are the key properties of N-[[(2R)-oxolan-2-yl]methyl]-2-[(2E,5R)-4-oxo-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-5-yl]acetamide?
N-[[(2R)-oxolan-2-yl]methyl]-2-[(2E,5R)-4-oxo-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 312.40 g/mol, XLogP of 0.66, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-oxolan-2-yl]methyl]-2-[(2E,5R)-4-oxo-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 135956090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).