2-[[(3S)-3-fluoro-3-methylpiperidin-1-yl]methyl]-1,3-thiazole

C10H15FN2S — CID 129488110

IUPAC2-[[(3S)-3-fluoro-3-methylpiperidin-1-yl]methyl]-1,3-thiazole
SMILESC[C@]1(F)CCCN(Cc2nccs2)C1
InChIInChI=1S/C10H15FN2S/c1-10(11)3-2-5-13(8-10)7-9-12-4-6-14-9/h4,6H,2-3,5,7-8H2,1H3/t10-/m0/s1
InChIKeyHAIBKSUOIVSWEI-JTQLQIEISA-N
MW214.31 g/mol
LogP2.47
Rot. Bonds2

About 2-[[(3S)-3-fluoro-3-methylpiperidin-1-yl]methyl]-1,3-thiazole

2-[[(3S)-3-fluoro-3-methylpiperidin-1-yl]methyl]-1,3-thiazole (PubChem CID 129488110) has the molecular formula C10H15FN2S and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-[[(3S)-3-fluoro-3-methylpiperidin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[[(3S)-3-fluoro-3-methylpiperidin-1-yl]methyl]-1,3-thiazole
PubChem CID129488110
Molecular FormulaC10H15FN2S
Molecular Weight214.31 g/mol
Exact Mass214.09
IUPAC Name2-[[(3S)-3-fluoro-3-methylpiperidin-1-yl]methyl]-1,3-thiazole
SMILESC[C@]1(F)CCCN(Cc2nccs2)C1
InChIInChI=1S/C10H15FN2S/c1-10(11)3-2-5-13(8-10)7-9-12-4-6-14-9/h4,6H,2-3,5,7-8H2,1H3/t10-/m0/s1
InChIKeyHAIBKSUOIVSWEI-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

2-(3-Piperidin-1-ylprop-1-ynyl)-1,3-thiazole
CID 20071653
2-(2-azabicyclo[2.2.1]hept-2-yl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 133544181
5-(3-Fluoro-3-methylpiperidin-1-yl)-2-propan-2-yl-1,3-thiazole
CID 23571133
5-(4-Fluoro-4-methylpiperidin-1-yl)-2-propan-2-yl-1,3-thiazole
CID 23571137
5-[2-(4,4-Difluoropiperidin-1-yl)ethylsulfanyl]-2-methyl-1,3-thiazole
CID 58328458
2-(1-Fluoropentyl)-1,3-thiazole
CID 67086803
2-Methyl-5-[4-(trifluoromethyl)piperidin-1-yl]-1,3-thiazole
CID 68186460
2-(4,4-Difluoropiperidin-1-yl)-2-(1,3-thiazol-2-yl)acetonitrile
CID 118297230
5-(4,4-Difluoropiperidin-1-yl)-2-methyl-1,3-thiazole;ethane
CID 142825973
5-(4,4-Difluoropiperidin-1-yl)-2-methyl-1,3-thiazole
CID 142825974
2-(4,4-Difluoropiperidin-1-yl)-2-(1,3-thiazol-2-yl)acetonitrile;ethane
CID 144898608
2-(4-Fluoropiperidin-4-yl)-1,3-thiazole
CID 145536281

Frequently Asked Questions

What is the IUPAC name of 2-[[(3S)-3-fluoro-3-methylpiperidin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-[[(3S)-3-fluoro-3-methylpiperidin-1-yl]methyl]-1,3-thiazole (CID 129488110) is 2-[[(3S)-3-fluoro-3-methylpiperidin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-[[(3S)-3-fluoro-3-methylpiperidin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-[[(3S)-3-fluoro-3-methylpiperidin-1-yl]methyl]-1,3-thiazole is C[C@]1(F)CCCN(Cc2nccs2)C1.
What is the InChIKey of 2-[[(3S)-3-fluoro-3-methylpiperidin-1-yl]methyl]-1,3-thiazole?
The InChIKey is HAIBKSUOIVSWEI-JTQLQIEISA-N. The full InChI is InChI=1S/C10H15FN2S/c1-10(11)3-2-5-13(8-10)7-9-12-4-6-14-9/h4,6H,2-3,5,7-8H2,1H3/t10-/m0/s1.
What are the key properties of 2-[[(3S)-3-fluoro-3-methylpiperidin-1-yl]methyl]-1,3-thiazole?
2-[[(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 2-[[(3S)-3-fluoro-3-methylpiperidin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 129488110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).