4-[[(3R)-3-fluoro-3-methylpiperidin-1-yl]methyl]-1,3-thiazole

C10H15FN2S — CID 129488155

IUPAC4-[[(3R)-3-fluoro-3-methylpiperidin-1-yl]methyl]-1,3-thiazole
SMILESC[C@@]1(F)CCCN(Cc2cscn2)C1
InChIInChI=1S/C10H15FN2S/c1-10(11)3-2-4-13(7-10)5-9-6-14-8-12-9/h6,8H,2-5,7H2,1H3/t10-/m1/s1
InChIKeyPDBFOMAAGOOICU-SNVBAGLBSA-N
MW214.31 g/mol
LogP2.47
Rot. Bonds2

About 4-[[(3R)-3-fluoro-3-methylpiperidin-1-yl]methyl]-1,3-thiazole

4-[[(3R)-3-fluoro-3-methylpiperidin-1-yl]methyl]-1,3-thiazole (PubChem CID 129488155) has the molecular formula C10H15FN2S and a molecular weight of 214.31 g/mol. Its IUPAC name is 4-[[(3R)-3-fluoro-3-methylpiperidin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-[[(3R)-3-fluoro-3-methylpiperidin-1-yl]methyl]-1,3-thiazole
PubChem CID129488155
Molecular FormulaC10H15FN2S
Molecular Weight214.31 g/mol
Exact Mass214.09
IUPAC Name4-[[(3R)-3-fluoro-3-methylpiperidin-1-yl]methyl]-1,3-thiazole
SMILESC[C@@]1(F)CCCN(Cc2cscn2)C1
InChIInChI=1S/C10H15FN2S/c1-10(11)3-2-4-13(7-10)5-9-6-14-8-12-9/h6,8H,2-5,7H2,1H3/t10-/m1/s1
InChIKeyPDBFOMAAGOOICU-SNVBAGLBSA-N
XLogP2.47
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[(3R)-3-fluoro-3-methylpiperidin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 4-[[(3R)-3-fluoro-3-methylpiperidin-1-yl]methyl]-1,3-thiazole (CID 129488155) is 4-[[(3R)-3-fluoro-3-methylpiperidin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 4-[[(3R)-3-fluoro-3-methylpiperidin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 4-[[(3R)-3-fluoro-3-methylpiperidin-1-yl]methyl]-1,3-thiazole is C[C@@]1(F)CCCN(Cc2cscn2)C1.
What is the InChIKey of 4-[[(3R)-3-fluoro-3-methylpiperidin-1-yl]methyl]-1,3-thiazole?
The InChIKey is PDBFOMAAGOOICU-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H15FN2S/c1-10(11)3-2-4-13(7-10)5-9-6-14-8-12-9/h6,8H,2-5,7H2,1H3/t10-/m1/s1.
What are the key properties of 4-[[(3R)-3-fluoro-3-methylpiperidin-1-yl]methyl]-1,3-thiazole?
4-[[(3R)-3-fluoro-3-methylpiperidin-1-yl]methyl]-1,3-thiazole has a molecular weight of 214.31 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3R)-3-fluoro-3-methylpiperidin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 129488155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).