4-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]-1-(pyridin-2-ylmethyl)piperidin-4-ol

C19H26N4O2S — CID 100626629

IUPAC4-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]-1-(pyridin-2-ylmethyl)piperidin-4-ol
SMILESOC1(c2csc(CN3CCOCC3)n2)CCN(Cc2ccccn2)CC1
InChIInChI=1S/C19H26N4O2S/c24-19(4-7-22(8-5-19)13-16-3-1-2-6-20-16)17-15-26-18(21-17)14-23-9-11-25-12-10-23/h1-3,6,15,24H,4-5,7-14H2
InChIKeyFMLIHIBJGFZTHX-UHFFFAOYSA-N
MW374.51 g/mol
LogP1.85
Rot. Bonds5

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

4-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]-1-(pyridin-2-ylmethyl)piperidin-4-ol (PubChem CID 100626629) has the molecular formula C19H26N4O2S and a molecular weight of 374.51 g/mol. Its IUPAC name is 4-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]-1-(pyridin-2-ylmethyl)piperidin-4-ol.

Molecular Properties

Compound Name4-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]-1-(pyridin-2-ylmethyl)piperidin-4-ol
PubChem CID100626629
Molecular FormulaC19H26N4O2S
Molecular Weight374.51 g/mol
Exact Mass374.18
IUPAC Name4-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]-1-(pyridin-2-ylmethyl)piperidin-4-ol
SMILESOC1(c2csc(CN3CCOCC3)n2)CCN(Cc2ccccn2)CC1
InChIInChI=1S/C19H26N4O2S/c24-19(4-7-22(8-5-19)13-16-3-1-2-6-20-16)17-15-26-18(21-17)14-23-9-11-25-12-10-23/h1-3,6,15,24H,4-5,7-14H2
InChIKeyFMLIHIBJGFZTHX-UHFFFAOYSA-N
XLogP1.85
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]-1-(pyridin-2-ylmethyl)piperidin-4-ol?
The IUPAC name of 4-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]-1-(pyridin-2-ylmethyl)piperidin-4-ol (CID 100626629) is 4-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]-1-(pyridin-2-ylmethyl)piperidin-4-ol.
What is the SMILES notation for 4-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]-1-(pyridin-2-ylmethyl)piperidin-4-ol?
The canonical SMILES for 4-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]-1-(pyridin-2-ylmethyl)piperidin-4-ol is OC1(c2csc(CN3CCOCC3)n2)CCN(Cc2ccccn2)CC1.
What is the InChIKey of 4-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]-1-(pyridin-2-ylmethyl)piperidin-4-ol?
The InChIKey is FMLIHIBJGFZTHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2S/c24-19(4-7-22(8-5-19)13-16-3-1-2-6-20-16)17-15-26-18(21-17)14-23-9-11-25-12-10-23/h1-3,6,15,24H,4-5,7-14H2.
What are the key properties of 4-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]-1-(pyridin-2-ylmethyl)piperidin-4-ol?
4-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]-1-(pyridin-2-ylmethyl)piperidin-4-ol has a molecular weight of 374.51 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]-1-(pyridin-2-ylmethyl)piperidin-4-ol is sourced from PubChem (CID 100626629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).