2-[4-ethyl-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]propan-2-ol

C15H26N2OS — CID 82430536

IUPAC2-[4-ethyl-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]propan-2-ol
SMILESCCc1nc(CN2CCCC(C)C2)sc1C(C)(C)O
InChIInChI=1S/C15H26N2OS/c1-5-12-14(15(3,4)18)19-13(16-12)10-17-8-6-7-11(2)9-17/h11,18H,5-10H2,1-4H3
InChIKeyVZGSKRMXTNXKPF-UHFFFAOYSA-N
MW282.45 g/mol
LogP3.16
Rot. Bonds4

About 2-[4-ethyl-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]propan-2-ol

2-[4-ethyl-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]propan-2-ol (PubChem CID 82430536) has the molecular formula C15H26N2OS and a molecular weight of 282.45 g/mol. Its IUPAC name is 2-[4-ethyl-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]propan-2-ol.

Molecular Properties

Compound Name2-[4-ethyl-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]propan-2-ol
PubChem CID82430536
Molecular FormulaC15H26N2OS
Molecular Weight282.45 g/mol
Exact Mass282.18
IUPAC Name2-[4-ethyl-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]propan-2-ol
SMILESCCc1nc(CN2CCCC(C)C2)sc1C(C)(C)O
InChIInChI=1S/C15H26N2OS/c1-5-12-14(15(3,4)18)19-13(16-12)10-17-8-6-7-11(2)9-17/h11,18H,5-10H2,1-4H3
InChIKeyVZGSKRMXTNXKPF-UHFFFAOYSA-N
XLogP3.16
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.45
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-ethyl-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-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 2-[4-ethyl-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]propan-2-ol?
The IUPAC name of 2-[4-ethyl-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]propan-2-ol (CID 82430536) is 2-[4-ethyl-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]propan-2-ol.
What is the SMILES notation for 2-[4-ethyl-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]propan-2-ol?
The canonical SMILES for 2-[4-ethyl-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]propan-2-ol is CCc1nc(CN2CCCC(C)C2)sc1C(C)(C)O.
What is the InChIKey of 2-[4-ethyl-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]propan-2-ol?
The InChIKey is VZGSKRMXTNXKPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2OS/c1-5-12-14(15(3,4)18)19-13(16-12)10-17-8-6-7-11(2)9-17/h11,18H,5-10H2,1-4H3.
What are the key properties of 2-[4-ethyl-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]propan-2-ol?
2-[4-ethyl-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]propan-2-ol has a molecular weight of 282.45 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-ethyl-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]propan-2-ol is sourced from PubChem (CID 82430536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).