4-[(4-tert-butylpiperidin-1-yl)methyl]-2-(trifluoromethyl)-1,3-thiazole

C14H21F3N2S — CID 58395343

IUPAC4-[(4-tert-butylpiperidin-1-yl)methyl]-2-(trifluoromethyl)-1,3-thiazole
SMILESCC(C)(C)C1CCN(Cc2csc(C(F)(F)F)n2)CC1
InChIInChI=1S/C14H21F3N2S/c1-13(2,3)10-4-6-19(7-5-10)8-11-9-20-12(18-11)14(15,16)17/h9-10H,4-8H2,1-3H3
InChIKeyNNWVBWMPSFKZIS-UHFFFAOYSA-N
MW306.40 g/mol
LogP4.42
Rot. Bonds2

About 4-[(4-tert-butylpiperidin-1-yl)methyl]-2-(trifluoromethyl)-1,3-thiazole

4-[(4-tert-butylpiperidin-1-yl)methyl]-2-(trifluoromethyl)-1,3-thiazole (PubChem CID 58395343) has the molecular formula C14H21F3N2S and a molecular weight of 306.40 g/mol. Its IUPAC name is 4-[(4-tert-butylpiperidin-1-yl)methyl]-2-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-[(4-tert-butylpiperidin-1-yl)methyl]-2-(trifluoromethyl)-1,3-thiazole
PubChem CID58395343
Molecular FormulaC14H21F3N2S
Molecular Weight306.40 g/mol
Exact Mass306.14
IUPAC Name4-[(4-tert-butylpiperidin-1-yl)methyl]-2-(trifluoromethyl)-1,3-thiazole
SMILESCC(C)(C)C1CCN(Cc2csc(C(F)(F)F)n2)CC1
InChIInChI=1S/C14H21F3N2S/c1-13(2,3)10-4-6-19(7-5-10)8-11-9-20-12(18-11)14(15,16)17/h9-10H,4-8H2,1-3H3
InChIKeyNNWVBWMPSFKZIS-UHFFFAOYSA-N
XLogP4.42
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.40
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-tert-butylpiperidin-1-yl)methyl]-2-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 4-[(4-tert-butylpiperidin-1-yl)methyl]-2-(trifluoromethyl)-1,3-thiazole (CID 58395343) is 4-[(4-tert-butylpiperidin-1-yl)methyl]-2-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 4-[(4-tert-butylpiperidin-1-yl)methyl]-2-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 4-[(4-tert-butylpiperidin-1-yl)methyl]-2-(trifluoromethyl)-1,3-thiazole is CC(C)(C)C1CCN(Cc2csc(C(F)(F)F)n2)CC1.
What is the InChIKey of 4-[(4-tert-butylpiperidin-1-yl)methyl]-2-(trifluoromethyl)-1,3-thiazole?
The InChIKey is NNWVBWMPSFKZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2S/c1-13(2,3)10-4-6-19(7-5-10)8-11-9-20-12(18-11)14(15,16)17/h9-10H,4-8H2,1-3H3.
What are the key properties of 4-[(4-tert-butylpiperidin-1-yl)methyl]-2-(trifluoromethyl)-1,3-thiazole?
4-[(4-tert-butylpiperidin-1-yl)methyl]-2-(trifluoromethyl)-1,3-thiazole has a molecular weight of 306.40 g/mol, XLogP of 4.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-tert-butylpiperidin-1-yl)methyl]-2-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 58395343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).