N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide

C11H16N4O2S — CID 60736062

IUPACN-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
SMILESCc1[nH]ncc1CNC(=O)CCN1CCSC1=O
InChIInChI=1S/C11H16N4O2S/c1-8-9(7-13-14-8)6-12-10(16)2-3-15-4-5-18-11(15)17/h7H,2-6H2,1H3,(H,12,16)(H,13,14)
InChIKeyQCVUCZCBMFBZRM-UHFFFAOYSA-N
MW268.34 g/mol
LogP0.89
Rot. Bonds5

About N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide

N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide (PubChem CID 60736062) has the molecular formula C11H16N4O2S and a molecular weight of 268.34 g/mol. Its IUPAC name is N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide.

Molecular Properties

Compound NameN-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
PubChem CID60736062
Molecular FormulaC11H16N4O2S
Molecular Weight268.34 g/mol
Exact Mass268.10
IUPAC NameN-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
SMILESCc1[nH]ncc1CNC(=O)CCN1CCSC1=O
InChIInChI=1S/C11H16N4O2S/c1-8-9(7-13-14-8)6-12-10(16)2-3-15-4-5-18-11(15)17/h7H,2-6H2,1H3,(H,12,16)(H,13,14)
InChIKeyQCVUCZCBMFBZRM-UHFFFAOYSA-N
XLogP0.89
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The IUPAC name of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide (CID 60736062) is N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide.
What is the SMILES notation for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The canonical SMILES for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide is Cc1[nH]ncc1CNC(=O)CCN1CCSC1=O.
What is the InChIKey of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The InChIKey is QCVUCZCBMFBZRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2S/c1-8-9(7-13-14-8)6-12-10(16)2-3-15-4-5-18-11(15)17/h7H,2-6H2,1H3,(H,12,16)(H,13,14).
What are the key properties of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide has a molecular weight of 268.34 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide is sourced from PubChem (CID 60736062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).