4-tert-butyl-2-[[4-(fluoromethyl)piperidin-1-yl]methyl]-1,3-thiazole

C14H23FN2S — CID 171690169

IUPAC4-tert-butyl-2-[[4-(fluoromethyl)piperidin-1-yl]methyl]-1,3-thiazole
SMILESCC(C)(C)c1csc(CN2CCC(CF)CC2)n1
InChIInChI=1S/C14H23FN2S/c1-14(2,3)12-10-18-13(16-12)9-17-6-4-11(8-15)5-7-17/h10-11H,4-9H2,1-3H3
InChIKeyIGSBYFFGPZHHBL-UHFFFAOYSA-N
MW270.42 g/mol
LogP3.62
Rot. Bonds3

About 4-tert-butyl-2-[[4-(fluoromethyl)piperidin-1-yl]methyl]-1,3-thiazole

4-tert-butyl-2-[[4-(fluoromethyl)piperidin-1-yl]methyl]-1,3-thiazole (PubChem CID 171690169) has the molecular formula C14H23FN2S and a molecular weight of 270.42 g/mol. Its IUPAC name is 4-tert-butyl-2-[[4-(fluoromethyl)piperidin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-tert-butyl-2-[[4-(fluoromethyl)piperidin-1-yl]methyl]-1,3-thiazole
PubChem CID171690169
Molecular FormulaC14H23FN2S
Molecular Weight270.42 g/mol
Exact Mass270.16
IUPAC Name4-tert-butyl-2-[[4-(fluoromethyl)piperidin-1-yl]methyl]-1,3-thiazole
SMILESCC(C)(C)c1csc(CN2CCC(CF)CC2)n1
InChIInChI=1S/C14H23FN2S/c1-14(2,3)12-10-18-13(16-12)9-17-6-4-11(8-15)5-7-17/h10-11H,4-9H2,1-3H3
InChIKeyIGSBYFFGPZHHBL-UHFFFAOYSA-N
XLogP3.62
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[[4-(fluoromethyl)piperidin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 4-tert-butyl-2-[[4-(fluoromethyl)piperidin-1-yl]methyl]-1,3-thiazole (CID 171690169) is 4-tert-butyl-2-[[4-(fluoromethyl)piperidin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 4-tert-butyl-2-[[4-(fluoromethyl)piperidin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 4-tert-butyl-2-[[4-(fluoromethyl)piperidin-1-yl]methyl]-1,3-thiazole is CC(C)(C)c1csc(CN2CCC(CF)CC2)n1.
What is the InChIKey of 4-tert-butyl-2-[[4-(fluoromethyl)piperidin-1-yl]methyl]-1,3-thiazole?
The InChIKey is IGSBYFFGPZHHBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2S/c1-14(2,3)12-10-18-13(16-12)9-17-6-4-11(8-15)5-7-17/h10-11H,4-9H2,1-3H3.
What are the key properties of 4-tert-butyl-2-[[4-(fluoromethyl)piperidin-1-yl]methyl]-1,3-thiazole?
4-tert-butyl-2-[[4-(fluoromethyl)piperidin-1-yl]methyl]-1,3-thiazole has a molecular weight of 270.42 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[[4-(fluoromethyl)piperidin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 171690169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).