3-[[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethylamino]methyl]piperidin-3-ol

C16H22N4OS — CID 70729054

IUPAC3-[[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethylamino]methyl]piperidin-3-ol
SMILESOC1(CNCCc2csc(-c3ccncc3)n2)CCCNC1
InChIInChI=1S/C16H22N4OS/c21-16(5-1-6-18-11-16)12-19-9-4-14-10-22-15(20-14)13-2-7-17-8-3-13/h2-3,7-8,10,18-19,21H,1,4-6,9,11-12H2
InChIKeyLUVMVFKBLBDFDL-UHFFFAOYSA-N
MW318.45 g/mol
LogP1.45
Rot. Bonds6

About 3-[[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethylamino]methyl]piperidin-3-ol

3-[[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethylamino]methyl]piperidin-3-ol (PubChem CID 70729054) has the molecular formula C16H22N4OS and a molecular weight of 318.45 g/mol. Its IUPAC name is 3-[[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethylamino]methyl]piperidin-3-ol.

Molecular Properties

Compound Name3-[[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethylamino]methyl]piperidin-3-ol
PubChem CID70729054
Molecular FormulaC16H22N4OS
Molecular Weight318.45 g/mol
Exact Mass318.15
IUPAC Name3-[[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethylamino]methyl]piperidin-3-ol
SMILESOC1(CNCCc2csc(-c3ccncc3)n2)CCCNC1
InChIInChI=1S/C16H22N4OS/c21-16(5-1-6-18-11-16)12-19-9-4-14-10-22-15(20-14)13-2-7-17-8-3-13/h2-3,7-8,10,18-19,21H,1,4-6,9,11-12H2
InChIKeyLUVMVFKBLBDFDL-UHFFFAOYSA-N
XLogP1.45
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.45
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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 3-[[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethylamino]methyl]piperidin-3-ol?
The IUPAC name of 3-[[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethylamino]methyl]piperidin-3-ol (CID 70729054) is 3-[[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethylamino]methyl]piperidin-3-ol.
What is the SMILES notation for 3-[[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethylamino]methyl]piperidin-3-ol?
The canonical SMILES for 3-[[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethylamino]methyl]piperidin-3-ol is OC1(CNCCc2csc(-c3ccncc3)n2)CCCNC1.
What is the InChIKey of 3-[[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethylamino]methyl]piperidin-3-ol?
The InChIKey is LUVMVFKBLBDFDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4OS/c21-16(5-1-6-18-11-16)12-19-9-4-14-10-22-15(20-14)13-2-7-17-8-3-13/h2-3,7-8,10,18-19,21H,1,4-6,9,11-12H2.
What are the key properties of 3-[[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethylamino]methyl]piperidin-3-ol?
3-[[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethylamino]methyl]piperidin-3-ol has a molecular weight of 318.45 g/mol, XLogP of 1.45, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethylamino]methyl]piperidin-3-ol is sourced from PubChem (CID 70729054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).