1-[4-[2-(1,3-thiazol-2-ylmethylamino)ethyl]piperidin-1-yl]propan-2-ol

C14H25N3OS — CID 146617113

IUPAC1-[4-[2-(1,3-thiazol-2-ylmethylamino)ethyl]piperidin-1-yl]propan-2-ol
SMILESCC(O)CN1CCC(CCNCc2nccs2)CC1
InChIInChI=1S/C14H25N3OS/c1-12(18)11-17-7-3-13(4-8-17)2-5-15-10-14-16-6-9-19-14/h6,9,12-13,15,18H,2-5,7-8,10-11H2,1H3
InChIKeyUCYIIKAIPYXGEP-UHFFFAOYSA-N
MW283.44 g/mol
LogP1.72
Rot. Bonds7

About 1-[4-[2-(1,3-thiazol-2-ylmethylamino)ethyl]piperidin-1-yl]propan-2-ol

1-[4-[2-(1,3-thiazol-2-ylmethylamino)ethyl]piperidin-1-yl]propan-2-ol (PubChem CID 146617113) has the molecular formula C14H25N3OS and a molecular weight of 283.44 g/mol. Its IUPAC name is 1-[4-[2-(1,3-thiazol-2-ylmethylamino)ethyl]piperidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-[4-[2-(1,3-thiazol-2-ylmethylamino)ethyl]piperidin-1-yl]propan-2-ol
PubChem CID146617113
Molecular FormulaC14H25N3OS
Molecular Weight283.44 g/mol
Exact Mass283.17
IUPAC Name1-[4-[2-(1,3-thiazol-2-ylmethylamino)ethyl]piperidin-1-yl]propan-2-ol
SMILESCC(O)CN1CCC(CCNCc2nccs2)CC1
InChIInChI=1S/C14H25N3OS/c1-12(18)11-17-7-3-13(4-8-17)2-5-15-10-14-16-6-9-19-14/h6,9,12-13,15,18H,2-5,7-8,10-11H2,1H3
InChIKeyUCYIIKAIPYXGEP-UHFFFAOYSA-N
XLogP1.72
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[4-[2-(1,3-thiazol-2-ylmethylamino)ethyl]piperidin-1-yl]propan-2-ol 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 1-[4-[2-(1,3-thiazol-2-ylmethylamino)ethyl]piperidin-1-yl]propan-2-ol?
The IUPAC name of 1-[4-[2-(1,3-thiazol-2-ylmethylamino)ethyl]piperidin-1-yl]propan-2-ol (CID 146617113) is 1-[4-[2-(1,3-thiazol-2-ylmethylamino)ethyl]piperidin-1-yl]propan-2-ol.
What is the SMILES notation for 1-[4-[2-(1,3-thiazol-2-ylmethylamino)ethyl]piperidin-1-yl]propan-2-ol?
The canonical SMILES for 1-[4-[2-(1,3-thiazol-2-ylmethylamino)ethyl]piperidin-1-yl]propan-2-ol is CC(O)CN1CCC(CCNCc2nccs2)CC1.
What is the InChIKey of 1-[4-[2-(1,3-thiazol-2-ylmethylamino)ethyl]piperidin-1-yl]propan-2-ol?
The InChIKey is UCYIIKAIPYXGEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3OS/c1-12(18)11-17-7-3-13(4-8-17)2-5-15-10-14-16-6-9-19-14/h6,9,12-13,15,18H,2-5,7-8,10-11H2,1H3.
What are the key properties of 1-[4-[2-(1,3-thiazol-2-ylmethylamino)ethyl]piperidin-1-yl]propan-2-ol?
1-[4-[2-(1,3-thiazol-2-ylmethylamino)ethyl]piperidin-1-yl]propan-2-ol has a molecular weight of 283.44 g/mol, XLogP of 1.72, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(1,3-thiazol-2-ylmethylamino)ethyl]piperidin-1-yl]propan-2-ol is sourced from PubChem (CID 146617113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).