4-(1,3-thiazolidin-3-ylmethyl)aniline

C10H14N2S — CID 15410527

IUPAC4-(1,3-thiazolidin-3-ylmethyl)aniline
SMILESNc1ccc(CN2CCSC2)cc1
InChIInChI=1S/C10H14N2S/c11-10-3-1-9(2-4-10)7-12-5-6-13-8-12/h1-4H,5-8,11H2
InChIKeyWLHISESTWLOVMB-UHFFFAOYSA-N
MW194.30 g/mol
LogP1.78
Rot. Bonds2

About 4-(1,3-thiazolidin-3-ylmethyl)aniline

4-(1,3-thiazolidin-3-ylmethyl)aniline (PubChem CID 15410527) has the molecular formula C10H14N2S and a molecular weight of 194.30 g/mol. Its IUPAC name is 4-(1,3-thiazolidin-3-ylmethyl)aniline.

Molecular Properties

Compound Name4-(1,3-thiazolidin-3-ylmethyl)aniline
PubChem CID15410527
Molecular FormulaC10H14N2S
Molecular Weight194.30 g/mol
Exact Mass194.09
IUPAC Name4-(1,3-thiazolidin-3-ylmethyl)aniline
SMILESNc1ccc(CN2CCSC2)cc1
InChIInChI=1S/C10H14N2S/c11-10-3-1-9(2-4-10)7-12-5-6-13-8-12/h1-4H,5-8,11H2
InChIKeyWLHISESTWLOVMB-UHFFFAOYSA-N
XLogP1.78
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-thiazolidin-3-ylmethyl)aniline?
The IUPAC name of 4-(1,3-thiazolidin-3-ylmethyl)aniline (CID 15410527) is 4-(1,3-thiazolidin-3-ylmethyl)aniline.
What is the SMILES notation for 4-(1,3-thiazolidin-3-ylmethyl)aniline?
The canonical SMILES for 4-(1,3-thiazolidin-3-ylmethyl)aniline is Nc1ccc(CN2CCSC2)cc1.
What is the InChIKey of 4-(1,3-thiazolidin-3-ylmethyl)aniline?
The InChIKey is WLHISESTWLOVMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2S/c11-10-3-1-9(2-4-10)7-12-5-6-13-8-12/h1-4H,5-8,11H2.
What are the key properties of 4-(1,3-thiazolidin-3-ylmethyl)aniline?
4-(1,3-thiazolidin-3-ylmethyl)aniline has a molecular weight of 194.30 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-thiazolidin-3-ylmethyl)aniline is sourced from PubChem (CID 15410527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).