2-[(5S)-2-benzylimino-4-oxo-1,3-thiazolidin-5-yl]-N-cyclopropylacetamide

C15H17N3O2S — CID 135837036

IUPAC2-[(5S)-2-benzylimino-4-oxo-1,3-thiazolidin-5-yl]-N-cyclopropylacetamide
SMILESO=C(C[C@@H]1S/C(=N/Cc2ccccc2)NC1=O)NC1CC1
InChIInChI=1S/C15H17N3O2S/c19-13(17-11-6-7-11)8-12-14(20)18-15(21-12)16-9-10-4-2-1-3-5-10/h1-5,11-12H,6-9H2,(H,17,19)(H,16,18,20)/t12-/m0/s1
InChIKeyYLYHZGWQIFETDQ-LBPRGKRZSA-N
MW303.39 g/mol
LogP1.44
Rot. Bonds5

About 2-[(5S)-2-benzylimino-4-oxo-1,3-thiazolidin-5-yl]-N-cyclopropylacetamide

2-[(5S)-2-benzylimino-4-oxo-1,3-thiazolidin-5-yl]-N-cyclopropylacetamide (PubChem CID 135837036) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is 2-[(5S)-2-benzylimino-4-oxo-1,3-thiazolidin-5-yl]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[(5S)-2-benzylimino-4-oxo-1,3-thiazolidin-5-yl]-N-cyclopropylacetamide
PubChem CID135837036
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC Name2-[(5S)-2-benzylimino-4-oxo-1,3-thiazolidin-5-yl]-N-cyclopropylacetamide
SMILESO=C(C[C@@H]1S/C(=N/Cc2ccccc2)NC1=O)NC1CC1
InChIInChI=1S/C15H17N3O2S/c19-13(17-11-6-7-11)8-12-14(20)18-15(21-12)16-9-10-4-2-1-3-5-10/h1-5,11-12H,6-9H2,(H,17,19)(H,16,18,20)/t12-/m0/s1
InChIKeyYLYHZGWQIFETDQ-LBPRGKRZSA-N
XLogP1.44
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-2-[(5R)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide
CID 135795117
N-benzyl-2-[2-[(4-methylphenyl)methylimino]-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135535510
2-[(5S)-2-benzylimino-4-oxo-1,3-thiazolidin-5-yl]-N-naphthalen-2-ylacetamide
CID 135692255
2-[(5R)-2-benzylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(2,3-dichlorophenyl)acetamide
CID 135692285
2-benzylimino-5-ethyl-1,3-thiazolidin-4-one
CID 137289996
N-cyclopropyl-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 9165627
2-[(5S)-2-benzylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(3-nitrophenyl)acetamide
CID 135836355
2-[(5S)-2-benzylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-propoxyphenyl)acetamide
CID 135692269
2-(2-benzylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(2,5-dimethoxyphenyl)acetamide
CID 135481479
N-benzyl-2-[(5R)-4-oxo-2-(2-phenylethylimino)-1,3-thiazolidin-5-yl]acetamide
CID 135952219
2-(2-benzylimino-4-oxo-1,3-thiazolidin-5-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 135535538
N-benzyl-2-[(5R)-4-oxo-2-prop-2-enylimino-1,3-thiazolidin-5-yl]acetamide
CID 135952194

Frequently Asked Questions

What is the IUPAC name of 2-[(5S)-2-benzylimino-4-oxo-1,3-thiazolidin-5-yl]-N-cyclopropylacetamide?
The IUPAC name of 2-[(5S)-2-benzylimino-4-oxo-1,3-thiazolidin-5-yl]-N-cyclopropylacetamide (CID 135837036) is 2-[(5S)-2-benzylimino-4-oxo-1,3-thiazolidin-5-yl]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[(5S)-2-benzylimino-4-oxo-1,3-thiazolidin-5-yl]-N-cyclopropylacetamide?
The canonical SMILES for 2-[(5S)-2-benzylimino-4-oxo-1,3-thiazolidin-5-yl]-N-cyclopropylacetamide is O=C(C[C@@H]1S/C(=N/Cc2ccccc2)NC1=O)NC1CC1.
What is the InChIKey of 2-[(5S)-2-benzylimino-4-oxo-1,3-thiazolidin-5-yl]-N-cyclopropylacetamide?
The InChIKey is YLYHZGWQIFETDQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H17N3O2S/c19-13(17-11-6-7-11)8-12-14(20)18-15(21-12)16-9-10-4-2-1-3-5-10/h1-5,11-12H,6-9H2,(H,17,19)(H,16,18,20)/t12-/m0/s1.
What are the key properties of 2-[(5S)-2-benzylimino-4-oxo-1,3-thiazolidin-5-yl]-N-cyclopropylacetamide?
2-[(5S)-2-benzylimino-4-oxo-1,3-thiazolidin-5-yl]-N-cyclopropylacetamide has a molecular weight of 303.39 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5S)-2-benzylimino-4-oxo-1,3-thiazolidin-5-yl]-N-cyclopropylacetamide is sourced from PubChem (CID 135837036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).