N-[1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethyl]-3-pyrazol-1-ylpropan-1-amine

C17H24N4O2S — CID 75382572

IUPACN-[1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethyl]-3-pyrazol-1-ylpropan-1-amine
SMILESCC(NCCCn1cccn1)c1ccc(N2CCCS2(=O)=O)cc1
InChIInChI=1S/C17H24N4O2S/c1-15(18-9-2-11-20-12-3-10-19-20)16-5-7-17(8-6-16)21-13-4-14-24(21,22)23/h3,5-8,10,12,15,18H,2,4,9,11,13-14H2,1H3
InChIKeyCCJOECOPCISQRQ-UHFFFAOYSA-N
MW348.47 g/mol
LogP2.16
Rot. Bonds7

About N-[1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethyl]-3-pyrazol-1-ylpropan-1-amine

N-[1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethyl]-3-pyrazol-1-ylpropan-1-amine (PubChem CID 75382572) has the molecular formula C17H24N4O2S and a molecular weight of 348.47 g/mol. Its IUPAC name is N-[1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethyl]-3-pyrazol-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-[1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethyl]-3-pyrazol-1-ylpropan-1-amine
PubChem CID75382572
Molecular FormulaC17H24N4O2S
Molecular Weight348.47 g/mol
Exact Mass348.16
IUPAC NameN-[1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethyl]-3-pyrazol-1-ylpropan-1-amine
SMILESCC(NCCCn1cccn1)c1ccc(N2CCCS2(=O)=O)cc1
InChIInChI=1S/C17H24N4O2S/c1-15(18-9-2-11-20-12-3-10-19-20)16-5-7-17(8-6-16)21-13-4-14-24(21,22)23/h3,5-8,10,12,15,18H,2,4,9,11,13-14H2,1H3
InChIKeyCCJOECOPCISQRQ-UHFFFAOYSA-N
XLogP2.16
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethyl]-3-pyrazol-1-ylpropan-1-amine 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-[1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethyl]-3-pyrazol-1-ylpropan-1-amine?
The IUPAC name of N-[1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethyl]-3-pyrazol-1-ylpropan-1-amine (CID 75382572) is N-[1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethyl]-3-pyrazol-1-ylpropan-1-amine.
What is the SMILES notation for N-[1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethyl]-3-pyrazol-1-ylpropan-1-amine?
The canonical SMILES for N-[1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethyl]-3-pyrazol-1-ylpropan-1-amine is CC(NCCCn1cccn1)c1ccc(N2CCCS2(=O)=O)cc1.
What is the InChIKey of N-[1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethyl]-3-pyrazol-1-ylpropan-1-amine?
The InChIKey is CCJOECOPCISQRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2S/c1-15(18-9-2-11-20-12-3-10-19-20)16-5-7-17(8-6-16)21-13-4-14-24(21,22)23/h3,5-8,10,12,15,18H,2,4,9,11,13-14H2,1H3.
What are the key properties of N-[1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethyl]-3-pyrazol-1-ylpropan-1-amine?
N-[1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethyl]-3-pyrazol-1-ylpropan-1-amine has a molecular weight of 348.47 g/mol, XLogP of 2.16, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethyl]-3-pyrazol-1-ylpropan-1-amine is sourced from PubChem (CID 75382572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).