4-[(2-piperidin-4-ylethylamino)methyl]-3H-1,3-thiazol-2-one

C11H19N3OS — CID 106381853

IUPAC4-[(2-piperidin-4-ylethylamino)methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CNCCC2CCNCC2)cs1
InChIInChI=1S/C11H19N3OS/c15-11-14-10(8-16-11)7-13-6-3-9-1-4-12-5-2-9/h8-9,12-13H,1-7H2,(H,14,15)
InChIKeyBFDJAVFFMYFDEB-UHFFFAOYSA-N
MW241.36 g/mol
LogP0.92
Rot. Bonds5

About 4-[(2-piperidin-4-ylethylamino)methyl]-3H-1,3-thiazol-2-one

4-[(2-piperidin-4-ylethylamino)methyl]-3H-1,3-thiazol-2-one (PubChem CID 106381853) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is 4-[(2-piperidin-4-ylethylamino)methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[(2-piperidin-4-ylethylamino)methyl]-3H-1,3-thiazol-2-one
PubChem CID106381853
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name4-[(2-piperidin-4-ylethylamino)methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CNCCC2CCNCC2)cs1
InChIInChI=1S/C11H19N3OS/c15-11-14-10(8-16-11)7-13-6-3-9-1-4-12-5-2-9/h8-9,12-13H,1-7H2,(H,14,15)
InChIKeyBFDJAVFFMYFDEB-UHFFFAOYSA-N
XLogP0.92
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-piperidin-4-ylethylamino)methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[(2-piperidin-4-ylethylamino)methyl]-3H-1,3-thiazol-2-one (CID 106381853) is 4-[(2-piperidin-4-ylethylamino)methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[(2-piperidin-4-ylethylamino)methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[(2-piperidin-4-ylethylamino)methyl]-3H-1,3-thiazol-2-one is O=c1[nH]c(CNCCC2CCNCC2)cs1.
What is the InChIKey of 4-[(2-piperidin-4-ylethylamino)methyl]-3H-1,3-thiazol-2-one?
The InChIKey is BFDJAVFFMYFDEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c15-11-14-10(8-16-11)7-13-6-3-9-1-4-12-5-2-9/h8-9,12-13H,1-7H2,(H,14,15).
What are the key properties of 4-[(2-piperidin-4-ylethylamino)methyl]-3H-1,3-thiazol-2-one?
4-[(2-piperidin-4-ylethylamino)methyl]-3H-1,3-thiazol-2-one has a molecular weight of 241.36 g/mol, XLogP of 0.92, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-piperidin-4-ylethylamino)methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106381853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).