4-[(4-propan-2-ylpiperidin-1-yl)methyl]-2-(trifluoromethyl)-1,3-thiazole

C13H19F3N2S — CID 58395264

IUPAC4-[(4-propan-2-ylpiperidin-1-yl)methyl]-2-(trifluoromethyl)-1,3-thiazole
SMILESCC(C)C1CCN(Cc2csc(C(F)(F)F)n2)CC1
InChIInChI=1S/C13H19F3N2S/c1-9(2)10-3-5-18(6-4-10)7-11-8-19-12(17-11)13(14,15)16/h8-10H,3-7H2,1-2H3
InChIKeyGQMSCQBIUQFCBO-UHFFFAOYSA-N
MW292.37 g/mol
LogP4.03
Rot. Bonds3

About 4-[(4-propan-2-ylpiperidin-1-yl)methyl]-2-(trifluoromethyl)-1,3-thiazole

4-[(4-propan-2-ylpiperidin-1-yl)methyl]-2-(trifluoromethyl)-1,3-thiazole (PubChem CID 58395264) has the molecular formula C13H19F3N2S and a molecular weight of 292.37 g/mol. Its IUPAC name is 4-[(4-propan-2-ylpiperidin-1-yl)methyl]-2-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-[(4-propan-2-ylpiperidin-1-yl)methyl]-2-(trifluoromethyl)-1,3-thiazole
PubChem CID58395264
Molecular FormulaC13H19F3N2S
Molecular Weight292.37 g/mol
Exact Mass292.12
IUPAC Name4-[(4-propan-2-ylpiperidin-1-yl)methyl]-2-(trifluoromethyl)-1,3-thiazole
SMILESCC(C)C1CCN(Cc2csc(C(F)(F)F)n2)CC1
InChIInChI=1S/C13H19F3N2S/c1-9(2)10-3-5-18(6-4-10)7-11-8-19-12(17-11)13(14,15)16/h8-10H,3-7H2,1-2H3
InChIKeyGQMSCQBIUQFCBO-UHFFFAOYSA-N
XLogP4.03
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.37
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-propan-2-ylpiperidin-1-yl)methyl]-2-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 4-[(4-propan-2-ylpiperidin-1-yl)methyl]-2-(trifluoromethyl)-1,3-thiazole (CID 58395264) is 4-[(4-propan-2-ylpiperidin-1-yl)methyl]-2-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 4-[(4-propan-2-ylpiperidin-1-yl)methyl]-2-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 4-[(4-propan-2-ylpiperidin-1-yl)methyl]-2-(trifluoromethyl)-1,3-thiazole is CC(C)C1CCN(Cc2csc(C(F)(F)F)n2)CC1.
What is the InChIKey of 4-[(4-propan-2-ylpiperidin-1-yl)methyl]-2-(trifluoromethyl)-1,3-thiazole?
The InChIKey is GQMSCQBIUQFCBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2S/c1-9(2)10-3-5-18(6-4-10)7-11-8-19-12(17-11)13(14,15)16/h8-10H,3-7H2,1-2H3.
What are the key properties of 4-[(4-propan-2-ylpiperidin-1-yl)methyl]-2-(trifluoromethyl)-1,3-thiazole?
4-[(4-propan-2-ylpiperidin-1-yl)methyl]-2-(trifluoromethyl)-1,3-thiazole has a molecular weight of 292.37 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-propan-2-ylpiperidin-1-yl)methyl]-2-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 58395264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).