5-[[4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxypiperidin-1-yl]methyl]-1,3-thiazol-2-amine

C20H29N5OS — CID 25258494

IUPAC5-[[4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxypiperidin-1-yl]methyl]-1,3-thiazol-2-amine
SMILESNc1ncc(CN2CCC(OC3CCN(Cc4ccncc4)CC3)CC2)s1
InChIInChI=1S/C20H29N5OS/c21-20-23-13-19(27-20)15-25-11-5-18(6-12-25)26-17-3-9-24(10-4-17)14-16-1-7-22-8-2-16/h1-2,7-8,13,17-18H,3-6,9-12,14-15H2,(H2,21,23)
InChIKeyKHZJECNMPFEJFI-UHFFFAOYSA-N
MW387.55 g/mol
LogP2.77
Rot. Bonds6

About 5-[[4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxypiperidin-1-yl]methyl]-1,3-thiazol-2-amine

5-[[4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxypiperidin-1-yl]methyl]-1,3-thiazol-2-amine (PubChem CID 25258494) has the molecular formula C20H29N5OS and a molecular weight of 387.55 g/mol. Its IUPAC name is 5-[[4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxypiperidin-1-yl]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[[4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxypiperidin-1-yl]methyl]-1,3-thiazol-2-amine
PubChem CID25258494
Molecular FormulaC20H29N5OS
Molecular Weight387.55 g/mol
Exact Mass387.21
IUPAC Name5-[[4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxypiperidin-1-yl]methyl]-1,3-thiazol-2-amine
SMILESNc1ncc(CN2CCC(OC3CCN(Cc4ccncc4)CC3)CC2)s1
InChIInChI=1S/C20H29N5OS/c21-20-23-13-19(27-20)15-25-11-5-18(6-12-25)26-17-3-9-24(10-4-17)14-16-1-7-22-8-2-16/h1-2,7-8,13,17-18H,3-6,9-12,14-15H2,(H2,21,23)
InChIKeyKHZJECNMPFEJFI-UHFFFAOYSA-N
XLogP2.77
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.55
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[[4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxypiperidin-1-yl]methyl]-1,3-thiazol-2-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 5-[[4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxypiperidin-1-yl]methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[[4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxypiperidin-1-yl]methyl]-1,3-thiazol-2-amine (CID 25258494) is 5-[[4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxypiperidin-1-yl]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[[4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxypiperidin-1-yl]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[[4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxypiperidin-1-yl]methyl]-1,3-thiazol-2-amine is Nc1ncc(CN2CCC(OC3CCN(Cc4ccncc4)CC3)CC2)s1.
What is the InChIKey of 5-[[4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxypiperidin-1-yl]methyl]-1,3-thiazol-2-amine?
The InChIKey is KHZJECNMPFEJFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5OS/c21-20-23-13-19(27-20)15-25-11-5-18(6-12-25)26-17-3-9-24(10-4-17)14-16-1-7-22-8-2-16/h1-2,7-8,13,17-18H,3-6,9-12,14-15H2,(H2,21,23).
What are the key properties of 5-[[4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxypiperidin-1-yl]methyl]-1,3-thiazol-2-amine?
5-[[4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxypiperidin-1-yl]methyl]-1,3-thiazol-2-amine has a molecular weight of 387.55 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxypiperidin-1-yl]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 25258494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).