N-(2-cyclohexylpyrazol-3-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide

C14H20N4O2S — CID 47004592

IUPACN-(2-cyclohexylpyrazol-3-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
SMILESO=C(CN1CSCC1=O)Nc1ccnn1C1CCCCC1
InChIInChI=1S/C14H20N4O2S/c19-13(8-17-10-21-9-14(17)20)16-12-6-7-15-18(12)11-4-2-1-3-5-11/h6-7,11H,1-5,8-10H2,(H,16,19)
InChIKeyYAXPREWZMYSDBA-UHFFFAOYSA-N
MW308.41 g/mol
LogP1.86
Rot. Bonds4

About N-(2-cyclohexylpyrazol-3-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide

N-(2-cyclohexylpyrazol-3-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide (PubChem CID 47004592) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is N-(2-cyclohexylpyrazol-3-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide.

Molecular Properties

Compound NameN-(2-cyclohexylpyrazol-3-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
PubChem CID47004592
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC NameN-(2-cyclohexylpyrazol-3-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
SMILESO=C(CN1CSCC1=O)Nc1ccnn1C1CCCCC1
InChIInChI=1S/C14H20N4O2S/c19-13(8-17-10-21-9-14(17)20)16-12-6-7-15-18(12)11-4-2-1-3-5-11/h6-7,11H,1-5,8-10H2,(H,16,19)
InChIKeyYAXPREWZMYSDBA-UHFFFAOYSA-N
XLogP1.86
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexylpyrazol-3-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
The IUPAC name of N-(2-cyclohexylpyrazol-3-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide (CID 47004592) is N-(2-cyclohexylpyrazol-3-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide.
What is the SMILES notation for N-(2-cyclohexylpyrazol-3-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
The canonical SMILES for N-(2-cyclohexylpyrazol-3-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide is O=C(CN1CSCC1=O)Nc1ccnn1C1CCCCC1.
What is the InChIKey of N-(2-cyclohexylpyrazol-3-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
The InChIKey is YAXPREWZMYSDBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c19-13(8-17-10-21-9-14(17)20)16-12-6-7-15-18(12)11-4-2-1-3-5-11/h6-7,11H,1-5,8-10H2,(H,16,19).
What are the key properties of N-(2-cyclohexylpyrazol-3-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
N-(2-cyclohexylpyrazol-3-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide has a molecular weight of 308.41 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylpyrazol-3-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide is sourced from PubChem (CID 47004592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).