2-oxo-N-(1H-pyrazol-4-yl)-1,3-thiazolidine-4-carboxamide

C7H8N4O2S — CID 43540360

IUPAC2-oxo-N-(1H-pyrazol-4-yl)-1,3-thiazolidine-4-carboxamide
SMILESO=C1NC(C(=O)Nc2cn[nH]c2)CS1
InChIInChI=1S/C7H8N4O2S/c12-6(5-3-14-7(13)11-5)10-4-1-8-9-2-4/h1-2,5H,3H2,(H,8,9)(H,10,12)(H,11,13)
InChIKeyCRTJWQHXRDBWHU-UHFFFAOYSA-N
MW212.23 g/mol
LogP0.17
Rot. Bonds2

About 2-oxo-N-(1H-pyrazol-4-yl)-1,3-thiazolidine-4-carboxamide

2-oxo-N-(1H-pyrazol-4-yl)-1,3-thiazolidine-4-carboxamide (PubChem CID 43540360) has the molecular formula C7H8N4O2S and a molecular weight of 212.23 g/mol. Its IUPAC name is 2-oxo-N-(1H-pyrazol-4-yl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name2-oxo-N-(1H-pyrazol-4-yl)-1,3-thiazolidine-4-carboxamide
PubChem CID43540360
Molecular FormulaC7H8N4O2S
Molecular Weight212.23 g/mol
Exact Mass212.04
IUPAC Name2-oxo-N-(1H-pyrazol-4-yl)-1,3-thiazolidine-4-carboxamide
SMILESO=C1NC(C(=O)Nc2cn[nH]c2)CS1
InChIInChI=1S/C7H8N4O2S/c12-6(5-3-14-7(13)11-5)10-4-1-8-9-2-4/h1-2,5H,3H2,(H,8,9)(H,10,12)(H,11,13)
InChIKeyCRTJWQHXRDBWHU-UHFFFAOYSA-N
XLogP0.17
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.23
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(1H-pyrazol-4-yl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of 2-oxo-N-(1H-pyrazol-4-yl)-1,3-thiazolidine-4-carboxamide (CID 43540360) is 2-oxo-N-(1H-pyrazol-4-yl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for 2-oxo-N-(1H-pyrazol-4-yl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for 2-oxo-N-(1H-pyrazol-4-yl)-1,3-thiazolidine-4-carboxamide is O=C1NC(C(=O)Nc2cn[nH]c2)CS1.
What is the InChIKey of 2-oxo-N-(1H-pyrazol-4-yl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is CRTJWQHXRDBWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O2S/c12-6(5-3-14-7(13)11-5)10-4-1-8-9-2-4/h1-2,5H,3H2,(H,8,9)(H,10,12)(H,11,13).
What are the key properties of 2-oxo-N-(1H-pyrazol-4-yl)-1,3-thiazolidine-4-carboxamide?
2-oxo-N-(1H-pyrazol-4-yl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 212.23 g/mol, XLogP of 0.17, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(1H-pyrazol-4-yl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 43540360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).