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

C21H26F3N3O2S — CID 100644535

IUPAC4-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-ol
SMILESOC1(c2csc(CN3CCOCC3)n2)CCN(Cc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C21H26F3N3O2S/c22-21(23,24)17-3-1-16(2-4-17)13-26-7-5-20(28,6-8-26)18-15-30-19(25-18)14-27-9-11-29-12-10-27/h1-4,15,28H,5-14H2
InChIKeySFORNTVUWGWQCX-UHFFFAOYSA-N
MW441.52 g/mol
LogP3.48
Rot. Bonds5

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

4-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-ol (PubChem CID 100644535) has the molecular formula C21H26F3N3O2S and a molecular weight of 441.52 g/mol. Its IUPAC name is 4-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name4-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-ol
PubChem CID100644535
Molecular FormulaC21H26F3N3O2S
Molecular Weight441.52 g/mol
Exact Mass441.17
IUPAC Name4-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-ol
SMILESOC1(c2csc(CN3CCOCC3)n2)CCN(Cc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C21H26F3N3O2S/c22-21(23,24)17-3-1-16(2-4-17)13-26-7-5-20(28,6-8-26)18-15-30-19(25-18)14-27-9-11-29-12-10-27/h1-4,15,28H,5-14H2
InChIKeySFORNTVUWGWQCX-UHFFFAOYSA-N
XLogP3.48
TPSA48.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.52
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-ol?
The IUPAC name of 4-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-ol (CID 100644535) is 4-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-ol.
What is the SMILES notation for 4-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-ol?
The canonical SMILES for 4-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-ol is OC1(c2csc(CN3CCOCC3)n2)CCN(Cc2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of 4-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-ol?
The InChIKey is SFORNTVUWGWQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26F3N3O2S/c22-21(23,24)17-3-1-16(2-4-17)13-26-7-5-20(28,6-8-26)18-15-30-19(25-18)14-27-9-11-29-12-10-27/h1-4,15,28H,5-14H2.
What are the key properties of 4-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-ol?
4-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-ol has a molecular weight of 441.52 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-ol is sourced from PubChem (CID 100644535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).