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

C10H15FN2S — CID 129488154

IUPAC4-[[(3S)-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-/m0/s1
InChIKeyPDBFOMAAGOOICU-JTQLQIEISA-N
MW214.31 g/mol
LogP2.47
Rot. Bonds2

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

4-[[(3S)-3-fluoro-3-methylpiperidin-1-yl]methyl]-1,3-thiazole (PubChem CID 129488154) has the molecular formula C10H15FN2S and a molecular weight of 214.31 g/mol. Its IUPAC name is 4-[[(3S)-3-fluoro-3-methylpiperidin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-[[(3S)-3-fluoro-3-methylpiperidin-1-yl]methyl]-1,3-thiazole
PubChem CID129488154
Molecular FormulaC10H15FN2S
Molecular Weight214.31 g/mol
Exact Mass214.09
IUPAC Name4-[[(3S)-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-/m0/s1
InChIKeyPDBFOMAAGOOICU-JTQLQIEISA-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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Related Compounds

4-[(3-fluoro-3-methylpiperidin-1-yl)methyl]thiadiazole
CID 126790284
[3-propyl-1-(1,3-thiazol-4-ylmethyl)piperidin-3-yl]methanol
CID 70759213
4-[[(3R)-3-fluoro-3-methylpiperidin-1-yl]methyl]-6-methylpyrimidine
CID 129488024
4-[[(3S)-3-fluoro-3-methylpiperidin-1-yl]methyl]-6-methylpyrimidine
CID 129488025
(3R)-3-fluoro-3-methyl-1-[(1-methylimidazol-2-yl)methyl]piperidine
CID 129488138
5-[(3-fluoro-3-methylpiperidin-1-yl)methyl]thiadiazole
CID 126793840
1-benzyl-3-fluoro-3-methylpiperidine
CID 136545779
3-propan-2-yl-1-(1,3-thiazol-4-ylmethyl)pyrrolidine-3-carboxylic acid
CID 106984198
2-[[(3R)-3-fluoro-3-methylpiperidin-1-yl]methyl]-4-methylpyrimidine
CID 129349414
(4S)-3,3-dimethyl-4-(morpholin-4-ylmethyl)-1-(1,3-thiazol-4-ylmethyl)piperidin-4-ol
CID 97110053
3,3-dimethyl-4-(morpholin-4-ylmethyl)-1-(1,3-thiazol-4-ylmethyl)piperidin-4-ol
CID 72845510
4-[[4-(difluoromethylidene)piperidin-1-yl]methyl]-1,3-thiazole
CID 126834123

Frequently Asked Questions

What is the IUPAC name of 4-[[(3S)-3-fluoro-3-methylpiperidin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 4-[[(3S)-3-fluoro-3-methylpiperidin-1-yl]methyl]-1,3-thiazole (CID 129488154) is 4-[[(3S)-3-fluoro-3-methylpiperidin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 4-[[(3S)-3-fluoro-3-methylpiperidin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 4-[[(3S)-3-fluoro-3-methylpiperidin-1-yl]methyl]-1,3-thiazole is C[C@]1(F)CCCN(Cc2cscn2)C1.
What is the InChIKey of 4-[[(3S)-3-fluoro-3-methylpiperidin-1-yl]methyl]-1,3-thiazole?
The InChIKey is PDBFOMAAGOOICU-JTQLQIEISA-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-/m0/s1.
What are the key properties of 4-[[(3S)-3-fluoro-3-methylpiperidin-1-yl]methyl]-1,3-thiazole?
4-[[(3S)-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-[[(3S)-3-fluoro-3-methylpiperidin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 129488154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).