3-(2-oxo-1,3-thiazolidin-3-yl)-N-(1H-pyrazol-4-ylmethyl)propanamide

C10H14N4O2S — CID 60735784

IUPAC3-(2-oxo-1,3-thiazolidin-3-yl)-N-(1H-pyrazol-4-ylmethyl)propanamide
SMILESO=C(CCN1CCSC1=O)NCc1cn[nH]c1
InChIInChI=1S/C10H14N4O2S/c15-9(11-5-8-6-12-13-7-8)1-2-14-3-4-17-10(14)16/h6-7H,1-5H2,(H,11,15)(H,12,13)
InChIKeyBASXUNZBNGGMCI-UHFFFAOYSA-N
MW254.31 g/mol
LogP0.58
Rot. Bonds5

About 3-(2-oxo-1,3-thiazolidin-3-yl)-N-(1H-pyrazol-4-ylmethyl)propanamide

3-(2-oxo-1,3-thiazolidin-3-yl)-N-(1H-pyrazol-4-ylmethyl)propanamide (PubChem CID 60735784) has the molecular formula C10H14N4O2S and a molecular weight of 254.31 g/mol. Its IUPAC name is 3-(2-oxo-1,3-thiazolidin-3-yl)-N-(1H-pyrazol-4-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(2-oxo-1,3-thiazolidin-3-yl)-N-(1H-pyrazol-4-ylmethyl)propanamide
PubChem CID60735784
Molecular FormulaC10H14N4O2S
Molecular Weight254.31 g/mol
Exact Mass254.08
IUPAC Name3-(2-oxo-1,3-thiazolidin-3-yl)-N-(1H-pyrazol-4-ylmethyl)propanamide
SMILESO=C(CCN1CCSC1=O)NCc1cn[nH]c1
InChIInChI=1S/C10H14N4O2S/c15-9(11-5-8-6-12-13-7-8)1-2-14-3-4-17-10(14)16/h6-7H,1-5H2,(H,11,15)(H,12,13)
InChIKeyBASXUNZBNGGMCI-UHFFFAOYSA-N
XLogP0.58
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(1H-pyrazol-4-yl)-1,3-thiazolidine-4-carboxamide
CID 123690849
3-(2-oxo-1,3-thiazolidin-3-yl)-N-(1H-pyrazol-4-yl)propanamide
CID 43429651
N-methyl-N-(thiolan-3-yl)-1H-pyrazole-4-carboxamide
CID 43582039
N-(3-pyrrolidin-1-ylpropyl)-1H-pyrazole-4-carboxamide
CID 43582850
2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(1H-pyrazol-4-ylmethyl)acetamide
CID 54897068
5-oxo-N-(1H-pyrazol-4-ylmethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 54897071
2,2-dimethyl-N-[3-oxo-3-(1H-pyrazol-4-ylmethylamino)propyl]propanamide
CID 54897648
2-(4-oxo-1,3-thiazolidin-3-yl)-N-(1H-pyrazol-4-ylmethyl)acetamide
CID 60735960
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 60736062
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(1H-pyrazol-4-ylmethyl)acetamide
CID 60736231
N-(3-oxo-3-pyrrolidin-1-ylpropyl)-1H-pyrazole-4-carboxamide
CID 60786141
3-methylsulfonyl-N-(1H-pyrazol-4-ylmethyl)propanamide
CID 60967570

Frequently Asked Questions

What is the IUPAC name of 3-(2-oxo-1,3-thiazolidin-3-yl)-N-(1H-pyrazol-4-ylmethyl)propanamide?
The IUPAC name of 3-(2-oxo-1,3-thiazolidin-3-yl)-N-(1H-pyrazol-4-ylmethyl)propanamide (CID 60735784) is 3-(2-oxo-1,3-thiazolidin-3-yl)-N-(1H-pyrazol-4-ylmethyl)propanamide.
What is the SMILES notation for 3-(2-oxo-1,3-thiazolidin-3-yl)-N-(1H-pyrazol-4-ylmethyl)propanamide?
The canonical SMILES for 3-(2-oxo-1,3-thiazolidin-3-yl)-N-(1H-pyrazol-4-ylmethyl)propanamide is O=C(CCN1CCSC1=O)NCc1cn[nH]c1.
What is the InChIKey of 3-(2-oxo-1,3-thiazolidin-3-yl)-N-(1H-pyrazol-4-ylmethyl)propanamide?
The InChIKey is BASXUNZBNGGMCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2S/c15-9(11-5-8-6-12-13-7-8)1-2-14-3-4-17-10(14)16/h6-7H,1-5H2,(H,11,15)(H,12,13).
What are the key properties of 3-(2-oxo-1,3-thiazolidin-3-yl)-N-(1H-pyrazol-4-ylmethyl)propanamide?
3-(2-oxo-1,3-thiazolidin-3-yl)-N-(1H-pyrazol-4-ylmethyl)propanamide has a molecular weight of 254.31 g/mol, XLogP of 0.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxo-1,3-thiazolidin-3-yl)-N-(1H-pyrazol-4-ylmethyl)propanamide is sourced from PubChem (CID 60735784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).