2-methyl-5-[2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-thiazol-5-yl]-1,3,4-thiadiazole

C18H17F3N4OS2 — CID 46880804

IUPAC2-methyl-5-[2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-thiazol-5-yl]-1,3,4-thiadiazole
SMILESCc1nnc(-c2cnc(N3CCC(Oc4ccccc4C(F)(F)F)CC3)s2)s1
InChIInChI=1S/C18H17F3N4OS2/c1-11-23-24-16(27-11)15-10-22-17(28-15)25-8-6-12(7-9-25)26-14-5-3-2-4-13(14)18(19,20)21/h2-5,10,12H,6-9H2,1H3
InChIKeyQMSZVDLJWFWYRD-UHFFFAOYSA-N
MW426.49 g/mol
LogP5.04
Rot. Bonds4

About 2-methyl-5-[2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-thiazol-5-yl]-1,3,4-thiadiazole

2-methyl-5-[2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-thiazol-5-yl]-1,3,4-thiadiazole (PubChem CID 46880804) has the molecular formula C18H17F3N4OS2 and a molecular weight of 426.49 g/mol. Its IUPAC name is 2-methyl-5-[2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-thiazol-5-yl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-methyl-5-[2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-thiazol-5-yl]-1,3,4-thiadiazole
PubChem CID46880804
Molecular FormulaC18H17F3N4OS2
Molecular Weight426.49 g/mol
Exact Mass426.08
IUPAC Name2-methyl-5-[2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-thiazol-5-yl]-1,3,4-thiadiazole
SMILESCc1nnc(-c2cnc(N3CCC(Oc4ccccc4C(F)(F)F)CC3)s2)s1
InChIInChI=1S/C18H17F3N4OS2/c1-11-23-24-16(27-11)15-10-22-17(28-15)25-8-6-12(7-9-25)26-14-5-3-2-4-13(14)18(19,20)21/h2-5,10,12H,6-9H2,1H3
InChIKeyQMSZVDLJWFWYRD-UHFFFAOYSA-N
XLogP5.04
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.49
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-methyl-5-[2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-thiazol-5-yl]-1,3,4-thiadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-Methyl-3-(2-(4-(2-(trifluoromethyl)phenoxy)piperidin-1-yl)thiazol-5-yl)-1,2,4-oxadiazole
CID 15980754
2-(2-(4-(2-(Trifluoromethyl)phenoxy)piperidin-1-yl)thiazol-5-yl)-1,3,4-oxadiazole
CID 46880806
3-(2-(4-(2-(Trifluoromethyl)phenoxy)piperidin-1-yl)thiazol-5-yl)-1,2,4-oxadiazole
CID 46880840
5-Methyl-2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-[1,3]thiazolo[4,5-d]pyrimidine
CID 56664975
(2'-{4-[2-(Trifluoromethyl)phenoxy]piperidin-1-yl}-2,5'-bi-1,3-thiazol-4-yl)acetic acid
CID 24988883
1-{5-[5-(Fluoromethyl)-1,2,4-oxadiazol-3-yl]-1,3-thiazol-2-yl}-4-[2-(trifluoromethyl)phenoxy]piperidine
CID 57659024
2-[2-[2-[4-[2-(Trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]propanoic acid
CID 66696814
2-{4-[2-(Trifluoromethyl)phenoxy]piperidin-1-yl}-1,3-thiazole-5-carbonitrile
CID 66696831
Acetic acid;5-(1,3-thiazol-2-yl)-2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-thiazole
CID 66766124
Ethyl 2-(5-(2-(4-(4-fluorophenyl)spiro[chromene-2,4'-piperidine]-1'-yl)thiazol-5-yl)-2H-tetrazol-2-yl)acetate
CID 66959722
2-{4-[2-(Trifluoromethyl)phenoxy]piperidin-1-yl}-1,3-thiazole-5-carbothioamide
CID 86620457
Methyl (2'-{4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl}-2,5'-bi-1,3-thiazol-4-yl)acetate
CID 86620458

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-thiazol-5-yl]-1,3,4-thiadiazole?
The IUPAC name of 2-methyl-5-[2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-thiazol-5-yl]-1,3,4-thiadiazole (CID 46880804) is 2-methyl-5-[2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-thiazol-5-yl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-methyl-5-[2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-thiazol-5-yl]-1,3,4-thiadiazole?
The canonical SMILES for 2-methyl-5-[2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-thiazol-5-yl]-1,3,4-thiadiazole is Cc1nnc(-c2cnc(N3CCC(Oc4ccccc4C(F)(F)F)CC3)s2)s1.
What is the InChIKey of 2-methyl-5-[2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-thiazol-5-yl]-1,3,4-thiadiazole?
The InChIKey is QMSZVDLJWFWYRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N4OS2/c1-11-23-24-16(27-11)15-10-22-17(28-15)25-8-6-12(7-9-25)26-14-5-3-2-4-13(14)18(19,20)21/h2-5,10,12H,6-9H2,1H3.
What are the key properties of 2-methyl-5-[2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-thiazol-5-yl]-1,3,4-thiadiazole?
2-methyl-5-[2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-thiazol-5-yl]-1,3,4-thiadiazole has a molecular weight of 426.49 g/mol, XLogP of 5.04, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-thiazol-5-yl]-1,3,4-thiadiazole is sourced from PubChem (CID 46880804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).