1-[1-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperidin-4-yl]ethane-1,2-diol

C17H21FN2O2S — CID 137345365

IUPAC1-[1-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperidin-4-yl]ethane-1,2-diol
SMILESOCC(O)C1CCN(Cc2nc(-c3ccc(F)cc3)cs2)CC1
InChIInChI=1S/C17H21FN2O2S/c18-14-3-1-12(2-4-14)15-11-23-17(19-15)9-20-7-5-13(6-8-20)16(22)10-21/h1-4,11,13,16,21-22H,5-10H2
InChIKeyMNTMYQLSIZWGPO-UHFFFAOYSA-N
MW336.43 g/mol
LogP2.51
Rot. Bonds5

About 1-[1-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperidin-4-yl]ethane-1,2-diol

1-[1-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperidin-4-yl]ethane-1,2-diol (PubChem CID 137345365) has the molecular formula C17H21FN2O2S and a molecular weight of 336.43 g/mol. Its IUPAC name is 1-[1-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperidin-4-yl]ethane-1,2-diol.

Molecular Properties

Compound Name1-[1-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperidin-4-yl]ethane-1,2-diol
PubChem CID137345365
Molecular FormulaC17H21FN2O2S
Molecular Weight336.43 g/mol
Exact Mass336.13
IUPAC Name1-[1-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperidin-4-yl]ethane-1,2-diol
SMILESOCC(O)C1CCN(Cc2nc(-c3ccc(F)cc3)cs2)CC1
InChIInChI=1S/C17H21FN2O2S/c18-14-3-1-12(2-4-14)15-11-23-17(19-15)9-20-7-5-13(6-8-20)16(22)10-21/h1-4,11,13,16,21-22H,5-10H2
InChIKeyMNTMYQLSIZWGPO-UHFFFAOYSA-N
XLogP2.51
TPSA56.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[1-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperidin-4-yl]ethane-1,2-diol with MolForge

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Related Compounds

4-(4-fluorophenyl)-2-[[3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 74241415
N-(4-fluorophenyl)-4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperazine-1-carboxamide
CID 30463998
2-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]acetamide;oxalic acid
CID 71780540
2-(4-fluorophenyl)-1-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]ethanone;hydrochloride
CID 71780187
4-(4-fluorophenyl)-2-[(4-methylsulfonyl-1,4-diazepan-1-yl)methyl]-1,3-thiazole
CID 135092286
N-[2-[1-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide
CID 30854337
(2,4-difluorophenyl)-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]methanone;hydrochloride
CID 71780196
1-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-4-(imidazol-1-ylmethyl)piperidin-4-ol
CID 74233807
4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-N-thiophen-2-ylpiperazine-1-carboxamide
CID 30464037
(4-fluorophenyl)-[1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidin-4-yl]methanol
CID 133372528
4-(4-fluorophenyl)-2-[[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazole
CID 99943600
4-[2-(piperidin-1-ylmethyl)-1,3-thiazol-4-yl]aniline
CID 70524977

Frequently Asked Questions

What is the IUPAC name of 1-[1-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperidin-4-yl]ethane-1,2-diol?
The IUPAC name of 1-[1-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperidin-4-yl]ethane-1,2-diol (CID 137345365) is 1-[1-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperidin-4-yl]ethane-1,2-diol.
What is the SMILES notation for 1-[1-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperidin-4-yl]ethane-1,2-diol?
The canonical SMILES for 1-[1-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperidin-4-yl]ethane-1,2-diol is OCC(O)C1CCN(Cc2nc(-c3ccc(F)cc3)cs2)CC1.
What is the InChIKey of 1-[1-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperidin-4-yl]ethane-1,2-diol?
The InChIKey is MNTMYQLSIZWGPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O2S/c18-14-3-1-12(2-4-14)15-11-23-17(19-15)9-20-7-5-13(6-8-20)16(22)10-21/h1-4,11,13,16,21-22H,5-10H2.
What are the key properties of 1-[1-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperidin-4-yl]ethane-1,2-diol?
1-[1-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperidin-4-yl]ethane-1,2-diol has a molecular weight of 336.43 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperidin-4-yl]ethane-1,2-diol is sourced from PubChem (CID 137345365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).