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

C9H12N4O2S — CID 60735960

IUPAC2-(4-oxo-1,3-thiazolidin-3-yl)-N-(1H-pyrazol-4-ylmethyl)acetamide
SMILESO=C(CN1CSCC1=O)NCc1cn[nH]c1
InChIInChI=1S/C9H12N4O2S/c14-8(4-13-6-16-5-9(13)15)10-1-7-2-11-12-3-7/h2-3H,1,4-6H2,(H,10,14)(H,11,12)
InChIKeyBHIGYENXWILBQR-UHFFFAOYSA-N
MW240.29 g/mol
LogP-0.44
Rot. Bonds4

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

2-(4-oxo-1,3-thiazolidin-3-yl)-N-(1H-pyrazol-4-ylmethyl)acetamide (PubChem CID 60735960) has the molecular formula C9H12N4O2S and a molecular weight of 240.29 g/mol. Its IUPAC name is 2-(4-oxo-1,3-thiazolidin-3-yl)-N-(1H-pyrazol-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-oxo-1,3-thiazolidin-3-yl)-N-(1H-pyrazol-4-ylmethyl)acetamide
PubChem CID60735960
Molecular FormulaC9H12N4O2S
Molecular Weight240.29 g/mol
Exact Mass240.07
IUPAC Name2-(4-oxo-1,3-thiazolidin-3-yl)-N-(1H-pyrazol-4-ylmethyl)acetamide
SMILESO=C(CN1CSCC1=O)NCc1cn[nH]c1
InChIInChI=1S/C9H12N4O2S/c14-8(4-13-6-16-5-9(13)15)10-1-7-2-11-12-3-7/h2-3H,1,4-6H2,(H,10,14)(H,11,12)
InChIKeyBHIGYENXWILBQR-UHFFFAOYSA-N
XLogP-0.44
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.29
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1H-pyrazol-4-yl)-1,3-thiazolidine-4-carboxamide
CID 123690849
2-(4-oxo-1,3-thiazolidin-3-yl)-N-(1H-pyrazol-4-yl)acetamide
CID 43429369
3-(2-oxo-1,3-thiazolidin-3-yl)-N-(1H-pyrazol-4-yl)propanamide
CID 43429651
2-(2-oxo-1,3-thiazolidin-3-yl)-N-(1H-pyrazol-4-yl)acetamide
CID 45814595
2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(1H-pyrazol-4-ylmethyl)acetamide
CID 54897068
2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(1H-pyrazol-4-ylmethyl)acetamide
CID 54897118
2-(2,5-dioxoimidazolidin-1-yl)-N-(1H-pyrazol-4-ylmethyl)acetamide
CID 54897454
2-oxo-2-piperazin-1-yl-N-(1H-pyrazol-4-ylmethyl)acetamide
CID 54982090
2-(1,4-diazepan-1-yl)-2-oxo-N-(1H-pyrazol-4-ylmethyl)acetamide
CID 54982091
3-(2-oxo-1,3-thiazolidin-3-yl)-N-(1H-pyrazol-4-ylmethyl)propanamide
CID 60735784
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(1H-pyrazol-4-ylmethyl)acetamide
CID 60736231
2-acetamido-N-(1H-pyrazol-4-ylmethyl)acetamide
CID 61000039

Frequently Asked Questions

What is the IUPAC name of 2-(4-oxo-1,3-thiazolidin-3-yl)-N-(1H-pyrazol-4-ylmethyl)acetamide?
The IUPAC name of 2-(4-oxo-1,3-thiazolidin-3-yl)-N-(1H-pyrazol-4-ylmethyl)acetamide (CID 60735960) is 2-(4-oxo-1,3-thiazolidin-3-yl)-N-(1H-pyrazol-4-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-oxo-1,3-thiazolidin-3-yl)-N-(1H-pyrazol-4-ylmethyl)acetamide?
The canonical SMILES for 2-(4-oxo-1,3-thiazolidin-3-yl)-N-(1H-pyrazol-4-ylmethyl)acetamide is O=C(CN1CSCC1=O)NCc1cn[nH]c1.
What is the InChIKey of 2-(4-oxo-1,3-thiazolidin-3-yl)-N-(1H-pyrazol-4-ylmethyl)acetamide?
The InChIKey is BHIGYENXWILBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2S/c14-8(4-13-6-16-5-9(13)15)10-1-7-2-11-12-3-7/h2-3H,1,4-6H2,(H,10,14)(H,11,12).
What are the key properties of 2-(4-oxo-1,3-thiazolidin-3-yl)-N-(1H-pyrazol-4-ylmethyl)acetamide?
2-(4-oxo-1,3-thiazolidin-3-yl)-N-(1H-pyrazol-4-ylmethyl)acetamide has a molecular weight of 240.29 g/mol, XLogP of -0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxo-1,3-thiazolidin-3-yl)-N-(1H-pyrazol-4-ylmethyl)acetamide is sourced from PubChem (CID 60735960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).