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

C12H21N3OS — CID 106381881

IUPAC4-[(3-piperidin-4-ylpropylamino)methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CNCCCC2CCNCC2)cs1
InChIInChI=1S/C12H21N3OS/c16-12-15-11(9-17-12)8-14-5-1-2-10-3-6-13-7-4-10/h9-10,13-14H,1-8H2,(H,15,16)
InChIKeyDXIDFVHONIDZEF-UHFFFAOYSA-N
MW255.39 g/mol
LogP1.31
Rot. Bonds6

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

4-[(3-piperidin-4-ylpropylamino)methyl]-3H-1,3-thiazol-2-one (PubChem CID 106381881) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is 4-[(3-piperidin-4-ylpropylamino)methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[(3-piperidin-4-ylpropylamino)methyl]-3H-1,3-thiazol-2-one
PubChem CID106381881
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC Name4-[(3-piperidin-4-ylpropylamino)methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CNCCCC2CCNCC2)cs1
InChIInChI=1S/C12H21N3OS/c16-12-15-11(9-17-12)8-14-5-1-2-10-3-6-13-7-4-10/h9-10,13-14H,1-8H2,(H,15,16)
InChIKeyDXIDFVHONIDZEF-UHFFFAOYSA-N
XLogP1.31
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 51.31
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-[(3-piperidin-4-ylpropylamino)methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[(3-piperidin-4-ylpropylamino)methyl]-3H-1,3-thiazol-2-one (CID 106381881) is 4-[(3-piperidin-4-ylpropylamino)methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[(3-piperidin-4-ylpropylamino)methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[(3-piperidin-4-ylpropylamino)methyl]-3H-1,3-thiazol-2-one is O=c1[nH]c(CNCCCC2CCNCC2)cs1.
What is the InChIKey of 4-[(3-piperidin-4-ylpropylamino)methyl]-3H-1,3-thiazol-2-one?
The InChIKey is DXIDFVHONIDZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c16-12-15-11(9-17-12)8-14-5-1-2-10-3-6-13-7-4-10/h9-10,13-14H,1-8H2,(H,15,16).
What are the key properties of 4-[(3-piperidin-4-ylpropylamino)methyl]-3H-1,3-thiazol-2-one?
4-[(3-piperidin-4-ylpropylamino)methyl]-3H-1,3-thiazol-2-one has a molecular weight of 255.39 g/mol, XLogP of 1.31, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-piperidin-4-ylpropylamino)methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106381881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).