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

C10H17N3OS — CID 106379971

IUPAC4-[(piperidin-3-ylmethylamino)methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CNCC2CCCNC2)cs1
InChIInChI=1S/C10H17N3OS/c14-10-13-9(7-15-10)6-12-5-8-2-1-3-11-4-8/h7-8,11-12H,1-6H2,(H,13,14)
InChIKeyLVLYICGMLMOEDC-UHFFFAOYSA-N
MW227.33 g/mol
LogP0.53
Rot. Bonds4

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

4-[(piperidin-3-ylmethylamino)methyl]-3H-1,3-thiazol-2-one (PubChem CID 106379971) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is 4-[(piperidin-3-ylmethylamino)methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[(piperidin-3-ylmethylamino)methyl]-3H-1,3-thiazol-2-one
PubChem CID106379971
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name4-[(piperidin-3-ylmethylamino)methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CNCC2CCCNC2)cs1
InChIInChI=1S/C10H17N3OS/c14-10-13-9(7-15-10)6-12-5-8-2-1-3-11-4-8/h7-8,11-12H,1-6H2,(H,13,14)
InChIKeyLVLYICGMLMOEDC-UHFFFAOYSA-N
XLogP0.53
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[(piperidin-3-ylmethylamino)methyl]-3H-1,3-thiazol-2-one 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 4-[(piperidin-3-ylmethylamino)methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[(piperidin-3-ylmethylamino)methyl]-3H-1,3-thiazol-2-one (CID 106379971) is 4-[(piperidin-3-ylmethylamino)methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[(piperidin-3-ylmethylamino)methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[(piperidin-3-ylmethylamino)methyl]-3H-1,3-thiazol-2-one is O=c1[nH]c(CNCC2CCCNC2)cs1.
What is the InChIKey of 4-[(piperidin-3-ylmethylamino)methyl]-3H-1,3-thiazol-2-one?
The InChIKey is LVLYICGMLMOEDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c14-10-13-9(7-15-10)6-12-5-8-2-1-3-11-4-8/h7-8,11-12H,1-6H2,(H,13,14).
What are the key properties of 4-[(piperidin-3-ylmethylamino)methyl]-3H-1,3-thiazol-2-one?
4-[(piperidin-3-ylmethylamino)methyl]-3H-1,3-thiazol-2-one has a molecular weight of 227.33 g/mol, XLogP of 0.53, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(piperidin-3-ylmethylamino)methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106379971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).