4-[[(3S,4S)-4-[(2-fluorophenyl)methyl]-3-methoxypiperidin-1-yl]methyl]-1,3-thiazole

C17H21FN2OS — CID 155992892

IUPAC4-[[(3S,4S)-4-[(2-fluorophenyl)methyl]-3-methoxypiperidin-1-yl]methyl]-1,3-thiazole
SMILESCO[C@@H]1CN(Cc2cscn2)CC[C@@H]1Cc1ccccc1F
InChIInChI=1S/C17H21FN2OS/c1-21-17-10-20(9-15-11-22-12-19-15)7-6-14(17)8-13-4-2-3-5-16(13)18/h2-5,11-12,14,17H,6-10H2,1H3/t14-,17-/m1/s1
InChIKeyIJOHJMVRAZNTTP-RHSMWYFYSA-N
MW320.43 g/mol
LogP3.36
Rot. Bonds5

About 4-[[(3S,4S)-4-[(2-fluorophenyl)methyl]-3-methoxypiperidin-1-yl]methyl]-1,3-thiazole

4-[[(3S,4S)-4-[(2-fluorophenyl)methyl]-3-methoxypiperidin-1-yl]methyl]-1,3-thiazole (PubChem CID 155992892) has the molecular formula C17H21FN2OS and a molecular weight of 320.43 g/mol. Its IUPAC name is 4-[[(3S,4S)-4-[(2-fluorophenyl)methyl]-3-methoxypiperidin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-[[(3S,4S)-4-[(2-fluorophenyl)methyl]-3-methoxypiperidin-1-yl]methyl]-1,3-thiazole
PubChem CID155992892
Molecular FormulaC17H21FN2OS
Molecular Weight320.43 g/mol
Exact Mass320.14
IUPAC Name4-[[(3S,4S)-4-[(2-fluorophenyl)methyl]-3-methoxypiperidin-1-yl]methyl]-1,3-thiazole
SMILESCO[C@@H]1CN(Cc2cscn2)CC[C@@H]1Cc1ccccc1F
InChIInChI=1S/C17H21FN2OS/c1-21-17-10-20(9-15-11-22-12-19-15)7-6-14(17)8-13-4-2-3-5-16(13)18/h2-5,11-12,14,17H,6-10H2,1H3/t14-,17-/m1/s1
InChIKeyIJOHJMVRAZNTTP-RHSMWYFYSA-N
XLogP3.36
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[[(3S,4S)-4-[(2-fluorophenyl)methyl]-3-methoxypiperidin-1-yl]methyl]-1,3-thiazole with MolForge

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Related Compounds

2-[[(3R,4S)-4-[(2-fluorophenyl)methyl]-3-methoxypiperidin-1-yl]methyl]-3-methylpyridine
CID 155992910
(4S,5S)-5-(2-fluorophenoxy)-1-(1,3-thiazol-4-ylmethyl)azepan-4-ol
CID 155987574
(3R,4R)-3-[(2-fluorophenyl)methyl]-4-methoxy-1-[(1-methylpyrazol-4-yl)methyl]piperidine
CID 155992563
(3R,4R)-1-[(2-fluorophenyl)methyl]-4-methoxypyrrolidin-3-ol
CID 126793647
4-[[(3S)-3-(2-methylpropyl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 97319043
1-[(2-fluorophenyl)methyl]-3-methoxypiperidine
CID 136523280
4-[[(3S)-3-[(4-methylphenoxy)methyl]piperidin-1-yl]methyl]-1,3-thiazole
CID 99959433
4-[[4-(pyridin-2-yloxymethyl)piperidin-1-yl]methyl]-1,3-thiazole
CID 75424571
4-[(4-benzylpiperazin-1-yl)methyl]-1,3-thiazole
CID 51073552
N-[[1-(1,3-thiazol-4-ylmethyl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 63830989
2-(2,4-difluorophenyl)-N-[(3R,4R)-3-hydroxy-1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]acetamide
CID 118772325
2-(2-fluorophenyl)-1-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone
CID 97272135

Frequently Asked Questions

What is the IUPAC name of 4-[[(3S,4S)-4-[(2-fluorophenyl)methyl]-3-methoxypiperidin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 4-[[(3S,4S)-4-[(2-fluorophenyl)methyl]-3-methoxypiperidin-1-yl]methyl]-1,3-thiazole (CID 155992892) is 4-[[(3S,4S)-4-[(2-fluorophenyl)methyl]-3-methoxypiperidin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 4-[[(3S,4S)-4-[(2-fluorophenyl)methyl]-3-methoxypiperidin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 4-[[(3S,4S)-4-[(2-fluorophenyl)methyl]-3-methoxypiperidin-1-yl]methyl]-1,3-thiazole is CO[C@@H]1CN(Cc2cscn2)CC[C@@H]1Cc1ccccc1F.
What is the InChIKey of 4-[[(3S,4S)-4-[(2-fluorophenyl)methyl]-3-methoxypiperidin-1-yl]methyl]-1,3-thiazole?
The InChIKey is IJOHJMVRAZNTTP-RHSMWYFYSA-N. The full InChI is InChI=1S/C17H21FN2OS/c1-21-17-10-20(9-15-11-22-12-19-15)7-6-14(17)8-13-4-2-3-5-16(13)18/h2-5,11-12,14,17H,6-10H2,1H3/t14-,17-/m1/s1.
What are the key properties of 4-[[(3S,4S)-4-[(2-fluorophenyl)methyl]-3-methoxypiperidin-1-yl]methyl]-1,3-thiazole?
4-[[(3S,4S)-4-[(2-fluorophenyl)methyl]-3-methoxypiperidin-1-yl]methyl]-1,3-thiazole has a molecular weight of 320.43 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3S,4S)-4-[(2-fluorophenyl)methyl]-3-methoxypiperidin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 155992892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).