2-cyclopropyl-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazole

C13H17F3N2S — CID 121020644

IUPAC2-cyclopropyl-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazole
SMILESFC(F)(F)C1CCN(Cc2csc(C3CC3)n2)CC1
InChIInChI=1S/C13H17F3N2S/c14-13(15,16)10-3-5-18(6-4-10)7-11-8-19-12(17-11)9-1-2-9/h8-10H,1-7H2
InChIKeyULHIDNHVZOFRON-UHFFFAOYSA-N
MW290.35 g/mol
LogP3.79
Rot. Bonds3

About 2-cyclopropyl-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazole

2-cyclopropyl-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazole (PubChem CID 121020644) has the molecular formula C13H17F3N2S and a molecular weight of 290.35 g/mol. Its IUPAC name is 2-cyclopropyl-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-cyclopropyl-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazole
PubChem CID121020644
Molecular FormulaC13H17F3N2S
Molecular Weight290.35 g/mol
Exact Mass290.11
IUPAC Name2-cyclopropyl-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazole
SMILESFC(F)(F)C1CCN(Cc2csc(C3CC3)n2)CC1
InChIInChI=1S/C13H17F3N2S/c14-13(15,16)10-3-5-18(6-4-10)7-11-8-19-12(17-11)9-1-2-9/h8-10H,1-7H2
InChIKeyULHIDNHVZOFRON-UHFFFAOYSA-N
XLogP3.79
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-cyclopropyl-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazole (CID 121020644) is 2-cyclopropyl-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-cyclopropyl-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-cyclopropyl-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazole is FC(F)(F)C1CCN(Cc2csc(C3CC3)n2)CC1.
What is the InChIKey of 2-cyclopropyl-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazole?
The InChIKey is ULHIDNHVZOFRON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2S/c14-13(15,16)10-3-5-18(6-4-10)7-11-8-19-12(17-11)9-1-2-9/h8-10H,1-7H2.
What are the key properties of 2-cyclopropyl-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazole?
2-cyclopropyl-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazole has a molecular weight of 290.35 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 121020644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).