5-bromo-2-[1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethoxy]-1,3-thiazole

C15H16BrF3N4OS — CID 175370745

IUPAC5-bromo-2-[1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethoxy]-1,3-thiazole
SMILESCC(Oc1ncc(Br)s1)C1CCN(c2ncc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C15H16BrF3N4OS/c1-9(24-14-22-8-12(16)25-14)10-2-4-23(5-3-10)13-20-6-11(7-21-13)15(17,18)19/h6-10H,2-5H2,1H3
InChIKeyGKXBPPRIDVLEEM-UHFFFAOYSA-N
MW437.29 g/mol
LogP4.40
Rot. Bonds4

About 5-bromo-2-[1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethoxy]-1,3-thiazole

5-bromo-2-[1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethoxy]-1,3-thiazole (PubChem CID 175370745) has the molecular formula C15H16BrF3N4OS and a molecular weight of 437.29 g/mol. Its IUPAC name is 5-bromo-2-[1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethoxy]-1,3-thiazole.

Molecular Properties

Compound Name5-bromo-2-[1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethoxy]-1,3-thiazole
PubChem CID175370745
Molecular FormulaC15H16BrF3N4OS
Molecular Weight437.29 g/mol
Exact Mass436.02
IUPAC Name5-bromo-2-[1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethoxy]-1,3-thiazole
SMILESCC(Oc1ncc(Br)s1)C1CCN(c2ncc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C15H16BrF3N4OS/c1-9(24-14-22-8-12(16)25-14)10-2-4-23(5-3-10)13-20-6-11(7-21-13)15(17,18)19/h6-10H,2-5H2,1H3
InChIKeyGKXBPPRIDVLEEM-UHFFFAOYSA-N
XLogP4.40
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.29
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-bromo-2-[(1S)-1-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]ethoxy]-1,3-thiazole
CID 175223418
5-bromo-2-[1-[1-(5-chloropyrazin-2-yl)piperidin-4-yl]ethoxy]-1,3-thiazole
CID 175223424
2-[4-(1-bromoethyl)piperidin-1-yl]-5-fluoropyrimidine
CID 106838724
(2S)-2-methoxy-2-phenylacetic acid;1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethanol;[(1R)-1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethyl] (2S)-2-methoxy-2-phenylacetate
CID 158671050
3-methoxy-1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]pyrrolidin-2-one
CID 156733403
5-ethyl-2-[4-[(1S)-1-methoxyethyl]piperidin-1-yl]pyrimidine
CID 131998372
ethane;5-methyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine
CID 145380217
5-iodo-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine
CID 104843946
1-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]ethanol
CID 103826127
2-[1-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]-2,2,2-trifluoroethoxy]-5-(4-methylsulfonylphenyl)-1,3-thiazole
CID 71657254
2-[(1S)-1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]ethoxy]-5-(6-methyl-3-pyridinyl)-[1,3]thiazolo[5,4-b]pyridine
CID 131998369
ethane;5-propan-2-yl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine
CID 170578273

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethoxy]-1,3-thiazole?
The IUPAC name of 5-bromo-2-[1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethoxy]-1,3-thiazole (CID 175370745) is 5-bromo-2-[1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethoxy]-1,3-thiazole.
What is the SMILES notation for 5-bromo-2-[1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethoxy]-1,3-thiazole?
The canonical SMILES for 5-bromo-2-[1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethoxy]-1,3-thiazole is CC(Oc1ncc(Br)s1)C1CCN(c2ncc(C(F)(F)F)cn2)CC1.
What is the InChIKey of 5-bromo-2-[1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethoxy]-1,3-thiazole?
The InChIKey is GKXBPPRIDVLEEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrF3N4OS/c1-9(24-14-22-8-12(16)25-14)10-2-4-23(5-3-10)13-20-6-11(7-21-13)15(17,18)19/h6-10H,2-5H2,1H3.
What are the key properties of 5-bromo-2-[1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethoxy]-1,3-thiazole?
5-bromo-2-[1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethoxy]-1,3-thiazole has a molecular weight of 437.29 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethoxy]-1,3-thiazole is sourced from PubChem (CID 175370745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).