N-benzyl-2-[(5R)-4-oxo-2-prop-2-enylimino-1,3-thiazolidin-5-yl]acetamide

C15H17N3O2S — CID 135952194

IUPACN-benzyl-2-[(5R)-4-oxo-2-prop-2-enylimino-1,3-thiazolidin-5-yl]acetamide
SMILESC=CC/N=C1/NC(=O)[C@@H](CC(=O)NCc2ccccc2)S1
InChIInChI=1S/C15H17N3O2S/c1-2-8-16-15-18-14(20)12(21-15)9-13(19)17-10-11-6-4-3-5-7-11/h2-7,12H,1,8-10H2,(H,17,19)(H,16,18,20)/t12-/m1/s1
InChIKeyKFNAPTQMUNQSMD-GFCCVEGCSA-N
MW303.39 g/mol
LogP1.47
Rot. Bonds6

About N-benzyl-2-[(5R)-4-oxo-2-prop-2-enylimino-1,3-thiazolidin-5-yl]acetamide

N-benzyl-2-[(5R)-4-oxo-2-prop-2-enylimino-1,3-thiazolidin-5-yl]acetamide (PubChem CID 135952194) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is N-benzyl-2-[(5R)-4-oxo-2-prop-2-enylimino-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[(5R)-4-oxo-2-prop-2-enylimino-1,3-thiazolidin-5-yl]acetamide
PubChem CID135952194
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC NameN-benzyl-2-[(5R)-4-oxo-2-prop-2-enylimino-1,3-thiazolidin-5-yl]acetamide
SMILESC=CC/N=C1/NC(=O)[C@@H](CC(=O)NCc2ccccc2)S1
InChIInChI=1S/C15H17N3O2S/c1-2-8-16-15-18-14(20)12(21-15)9-13(19)17-10-11-6-4-3-5-7-11/h2-7,12H,1,8-10H2,(H,17,19)(H,16,18,20)/t12-/m1/s1
InChIKeyKFNAPTQMUNQSMD-GFCCVEGCSA-N
XLogP1.47
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-2-[(5R)-4-oxo-2-(2-phenylethylimino)-1,3-thiazolidin-5-yl]acetamide
CID 135952219
N-naphthalen-1-yl-2-[(5R)-4-oxo-2-prop-2-enylimino-1,3-thiazolidin-5-yl]acetamide
CID 135673184
N-benzyl-2-[2-[(4-methylphenyl)methylimino]-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135535510
N-benzyl-2-[(5S)-2,4-dioxo-1,3-thiazolidin-5-yl]acetamide
CID 1352347
N-(4-methylphenyl)-2-[(5S)-4-oxo-2-prop-2-enylimino-1,3-thiazolidin-5-yl]acetamide
CID 135750479
N-benzyl-2-[(2E,5R)-2-[(Z)-1-(furan-2-yl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135828406
N-(2-nitrophenyl)-2-(4-oxo-2-prop-2-enylimino-1,3-thiazolidin-5-yl)acetamide
CID 135449402
N-benzyl-2-[(5S)-4-oxo-2-(1-phenylpropylidenehydrazinylidene)-1,3-thiazolidin-5-yl]acetamide
CID 137206935
N-benzyl-2-[2-[4-chloro-3-(trifluoromethyl)phenyl]imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135460872
N-(3,4-dimethoxyphenyl)-2-(4-oxo-2-prop-2-enylimino-1,3-thiazolidin-5-yl)acetamide
CID 135535522
2-[(5S)-2-benzylimino-4-oxo-1,3-thiazolidin-5-yl]-N-cyclopropylacetamide
CID 135837036
N-naphthalen-1-yl-2-[(5S)-4-oxo-2-(2-phenylethylimino)-1,3-thiazolidin-5-yl]acetamide
CID 135836409

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(5R)-4-oxo-2-prop-2-enylimino-1,3-thiazolidin-5-yl]acetamide?
The IUPAC name of N-benzyl-2-[(5R)-4-oxo-2-prop-2-enylimino-1,3-thiazolidin-5-yl]acetamide (CID 135952194) is N-benzyl-2-[(5R)-4-oxo-2-prop-2-enylimino-1,3-thiazolidin-5-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[(5R)-4-oxo-2-prop-2-enylimino-1,3-thiazolidin-5-yl]acetamide?
The canonical SMILES for N-benzyl-2-[(5R)-4-oxo-2-prop-2-enylimino-1,3-thiazolidin-5-yl]acetamide is C=CC/N=C1/NC(=O)[C@@H](CC(=O)NCc2ccccc2)S1.
What is the InChIKey of N-benzyl-2-[(5R)-4-oxo-2-prop-2-enylimino-1,3-thiazolidin-5-yl]acetamide?
The InChIKey is KFNAPTQMUNQSMD-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H17N3O2S/c1-2-8-16-15-18-14(20)12(21-15)9-13(19)17-10-11-6-4-3-5-7-11/h2-7,12H,1,8-10H2,(H,17,19)(H,16,18,20)/t12-/m1/s1.
What are the key properties of N-benzyl-2-[(5R)-4-oxo-2-prop-2-enylimino-1,3-thiazolidin-5-yl]acetamide?
N-benzyl-2-[(5R)-4-oxo-2-prop-2-enylimino-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 303.39 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(5R)-4-oxo-2-prop-2-enylimino-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 135952194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).