N'-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]cyclopropanecarbohydrazide

C9H13N3O3S — CID 51110368

IUPACN'-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]cyclopropanecarbohydrazide
SMILESO=C(CN1CSCC1=O)NNC(=O)C1CC1
InChIInChI=1S/C9H13N3O3S/c13-7(3-12-5-16-4-8(12)14)10-11-9(15)6-1-2-6/h6H,1-5H2,(H,10,13)(H,11,15)
InChIKeyPTMQKWJXRUTFRB-UHFFFAOYSA-N
MW243.29 g/mol
LogP-0.92
Rot. Bonds3

About N'-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]cyclopropanecarbohydrazide

N'-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]cyclopropanecarbohydrazide (PubChem CID 51110368) has the molecular formula C9H13N3O3S and a molecular weight of 243.29 g/mol. Its IUPAC name is N'-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]cyclopropanecarbohydrazide.

Molecular Properties

Compound NameN'-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]cyclopropanecarbohydrazide
PubChem CID51110368
Molecular FormulaC9H13N3O3S
Molecular Weight243.29 g/mol
Exact Mass243.07
IUPAC NameN'-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]cyclopropanecarbohydrazide
SMILESO=C(CN1CSCC1=O)NNC(=O)C1CC1
InChIInChI=1S/C9H13N3O3S/c13-7(3-12-5-16-4-8(12)14)10-11-9(15)6-1-2-6/h6H,1-5H2,(H,10,13)(H,11,15)
InChIKeyPTMQKWJXRUTFRB-UHFFFAOYSA-N
XLogP-0.92
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 5-0.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]cyclopropanecarbohydrazide?
The IUPAC name of N'-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]cyclopropanecarbohydrazide (CID 51110368) is N'-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]cyclopropanecarbohydrazide.
What is the SMILES notation for N'-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]cyclopropanecarbohydrazide?
The canonical SMILES for N'-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]cyclopropanecarbohydrazide is O=C(CN1CSCC1=O)NNC(=O)C1CC1.
What is the InChIKey of N'-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]cyclopropanecarbohydrazide?
The InChIKey is PTMQKWJXRUTFRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3S/c13-7(3-12-5-16-4-8(12)14)10-11-9(15)6-1-2-6/h6H,1-5H2,(H,10,13)(H,11,15).
What are the key properties of N'-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]cyclopropanecarbohydrazide?
N'-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]cyclopropanecarbohydrazide has a molecular weight of 243.29 g/mol, XLogP of -0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]cyclopropanecarbohydrazide is sourced from PubChem (CID 51110368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).