2-[2-(cyclopenten-1-ylhydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetate

C10H12N3O3S- — CID 135506764

IUPAC2-[2-(cyclopenten-1-ylhydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetate
SMILESO=C([O-])CC1SC(=NNC2=CCCC2)NC1=O
InChIInChI=1S/C10H13N3O3S/c14-8(15)5-7-9(16)11-10(17-7)13-12-6-3-1-2-4-6/h3,7,12H,1-2,4-5H2,(H,14,15)(H,11,13,16)/p-1
InChIKeyBCEOOQVKMBEBMQ-UHFFFAOYSA-M
MW254.29 g/mol
LogP-0.71
Rot. Bonds4

About 2-[2-(cyclopenten-1-ylhydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetate

2-[2-(cyclopenten-1-ylhydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetate (PubChem CID 135506764) has the molecular formula C10H12N3O3S- and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-[2-(cyclopenten-1-ylhydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetate.

Molecular Properties

Compound Name2-[2-(cyclopenten-1-ylhydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetate
PubChem CID135506764
Molecular FormulaC10H12N3O3S-
Molecular Weight254.29 g/mol
Exact Mass254.06
IUPAC Name2-[2-(cyclopenten-1-ylhydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetate
SMILESO=C([O-])CC1SC(=NNC2=CCCC2)NC1=O
InChIInChI=1S/C10H13N3O3S/c14-8(15)5-7-9(16)11-10(17-7)13-12-6-3-1-2-4-6/h3,7,12H,1-2,4-5H2,(H,14,15)(H,11,13,16)/p-1
InChIKeyBCEOOQVKMBEBMQ-UHFFFAOYSA-M
XLogP-0.71
TPSA93.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 5-0.71
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

2-(cyclopenten-1-ylhydrazinylidene)-4-oxo-1,3-thiazinane-6-carboxylic acid
CID 135474986
2-[2-(but-2-en-2-ylhydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetate
CID 135474895
2-[(2Z,5R)-2-[(4-ethylcyclohexylidene)hydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetate
CID 135831017
2-[(2Z,5R)-2-[(Z)-butan-2-ylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetate
CID 135568896
2-[(2Z,5S)-2-[(4-tert-butylcyclohexylidene)hydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetate
CID 135608711
2-[(2E,5S)-2-[(Z)-benzylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetate
CID 135830969
2-[(5S)-2-(3-hydroxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetate
CID 135843621
2-[(2E,5R)-4-oxo-2-[(Z)-(3,5,5-trimethylcyclohex-2-en-1-ylidene)hydrazinylidene]-1,3-thiazolidin-5-yl]acetate
CID 135764306
2-[(2E,5S)-2-[(Z)-(4-chlorophenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetate
CID 135852241
2-[(2Z,5R)-2-[(Z)-1-(furan-2-yl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetate
CID 135568863
2-[2-[(2-fluorophenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetate
CID 135412417
N-(3-nitrophenyl)-2-[(2E,5R)-4-oxo-2-(phenylhydrazinylidene)-1,3-thiazolidin-5-yl]acetamide
CID 135618395

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclopenten-1-ylhydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetate?
The IUPAC name of 2-[2-(cyclopenten-1-ylhydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetate (CID 135506764) is 2-[2-(cyclopenten-1-ylhydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetate.
What is the SMILES notation for 2-[2-(cyclopenten-1-ylhydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetate?
The canonical SMILES for 2-[2-(cyclopenten-1-ylhydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetate is O=C([O-])CC1SC(=NNC2=CCCC2)NC1=O.
What is the InChIKey of 2-[2-(cyclopenten-1-ylhydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetate?
The InChIKey is BCEOOQVKMBEBMQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H13N3O3S/c14-8(15)5-7-9(16)11-10(17-7)13-12-6-3-1-2-4-6/h3,7,12H,1-2,4-5H2,(H,14,15)(H,11,13,16)/p-1.
What are the key properties of 2-[2-(cyclopenten-1-ylhydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetate?
2-[2-(cyclopenten-1-ylhydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetate has a molecular weight of 254.29 g/mol, XLogP of -0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclopenten-1-ylhydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetate is sourced from PubChem (CID 135506764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).