2-[(3S)-3-(pentoxymethyl)piperidin-1-yl]-1,3-thiazol-4-amine

C14H25N3OS — CID 98468425

IUPAC2-[(3S)-3-(pentoxymethyl)piperidin-1-yl]-1,3-thiazol-4-amine
SMILESCCCCCOC[C@H]1CCCN(c2nc(N)cs2)C1
InChIInChI=1S/C14H25N3OS/c1-2-3-4-8-18-10-12-6-5-7-17(9-12)14-16-13(15)11-19-14/h11-12H,2-10,15H2,1H3/t12-/m0/s1
InChIKeyMCMHGYHLGKXAHH-LBPRGKRZSA-N
MW283.44 g/mol
LogP3.15
Rot. Bonds7

About 2-[(3S)-3-(pentoxymethyl)piperidin-1-yl]-1,3-thiazol-4-amine

2-[(3S)-3-(pentoxymethyl)piperidin-1-yl]-1,3-thiazol-4-amine (PubChem CID 98468425) has the molecular formula C14H25N3OS and a molecular weight of 283.44 g/mol. Its IUPAC name is 2-[(3S)-3-(pentoxymethyl)piperidin-1-yl]-1,3-thiazol-4-amine.

Molecular Properties

Compound Name2-[(3S)-3-(pentoxymethyl)piperidin-1-yl]-1,3-thiazol-4-amine
PubChem CID98468425
Molecular FormulaC14H25N3OS
Molecular Weight283.44 g/mol
Exact Mass283.17
IUPAC Name2-[(3S)-3-(pentoxymethyl)piperidin-1-yl]-1,3-thiazol-4-amine
SMILESCCCCCOC[C@H]1CCCN(c2nc(N)cs2)C1
InChIInChI=1S/C14H25N3OS/c1-2-3-4-8-18-10-12-6-5-7-17(9-12)14-16-13(15)11-19-14/h11-12H,2-10,15H2,1H3/t12-/m0/s1
InChIKeyMCMHGYHLGKXAHH-LBPRGKRZSA-N
XLogP3.15
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[(3S)-3-(pentoxymethyl)piperidin-1-yl]-1,3-thiazol-4-amine 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 2-[(3S)-3-(pentoxymethyl)piperidin-1-yl]-1,3-thiazol-4-amine?
The IUPAC name of 2-[(3S)-3-(pentoxymethyl)piperidin-1-yl]-1,3-thiazol-4-amine (CID 98468425) is 2-[(3S)-3-(pentoxymethyl)piperidin-1-yl]-1,3-thiazol-4-amine.
What is the SMILES notation for 2-[(3S)-3-(pentoxymethyl)piperidin-1-yl]-1,3-thiazol-4-amine?
The canonical SMILES for 2-[(3S)-3-(pentoxymethyl)piperidin-1-yl]-1,3-thiazol-4-amine is CCCCCOC[C@H]1CCCN(c2nc(N)cs2)C1.
What is the InChIKey of 2-[(3S)-3-(pentoxymethyl)piperidin-1-yl]-1,3-thiazol-4-amine?
The InChIKey is MCMHGYHLGKXAHH-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H25N3OS/c1-2-3-4-8-18-10-12-6-5-7-17(9-12)14-16-13(15)11-19-14/h11-12H,2-10,15H2,1H3/t12-/m0/s1.
What are the key properties of 2-[(3S)-3-(pentoxymethyl)piperidin-1-yl]-1,3-thiazol-4-amine?
2-[(3S)-3-(pentoxymethyl)piperidin-1-yl]-1,3-thiazol-4-amine has a molecular weight of 283.44 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-(pentoxymethyl)piperidin-1-yl]-1,3-thiazol-4-amine is sourced from PubChem (CID 98468425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).