3-[[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]imidazol-1-yl]methyl]piperidin-3-ol;hydrochloride

C18H20ClFN4OS — CID 154920567

IUPAC3-[[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]imidazol-1-yl]methyl]piperidin-3-ol;hydrochloride
SMILESCl.OC1(Cn2ccnc2-c2nc(-c3ccc(F)cc3)cs2)CCCNC1
InChIInChI=1S/C18H19FN4OS.ClH/c19-14-4-2-13(3-5-14)15-10-25-17(22-15)16-21-8-9-23(16)12-18(24)6-1-7-20-11-18;/h2-5,8-10,20,24H,1,6-7,11-12H2;1H
InChIKeyXIRCXGQJINDBGI-UHFFFAOYSA-N
MW394.90 g/mol
LogP3.35
Rot. Bonds4

About 3-[[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]imidazol-1-yl]methyl]piperidin-3-ol;hydrochloride

3-[[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]imidazol-1-yl]methyl]piperidin-3-ol;hydrochloride (PubChem CID 154920567) has the molecular formula C18H20ClFN4OS and a molecular weight of 394.90 g/mol. Its IUPAC name is 3-[[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]imidazol-1-yl]methyl]piperidin-3-ol;hydrochloride.

Molecular Properties

Compound Name3-[[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]imidazol-1-yl]methyl]piperidin-3-ol;hydrochloride
PubChem CID154920567
Molecular FormulaC18H20ClFN4OS
Molecular Weight394.90 g/mol
Exact Mass394.10
IUPAC Name3-[[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]imidazol-1-yl]methyl]piperidin-3-ol;hydrochloride
SMILESCl.OC1(Cn2ccnc2-c2nc(-c3ccc(F)cc3)cs2)CCCNC1
InChIInChI=1S/C18H19FN4OS.ClH/c19-14-4-2-13(3-5-14)15-10-25-17(22-15)16-21-8-9-23(16)12-18(24)6-1-7-20-11-18;/h2-5,8-10,20,24H,1,6-7,11-12H2;1H
InChIKeyXIRCXGQJINDBGI-UHFFFAOYSA-N
XLogP3.35
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.90
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]imidazol-1-yl]methyl]piperidin-3-ol;hydrochloride?
The IUPAC name of 3-[[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]imidazol-1-yl]methyl]piperidin-3-ol;hydrochloride (CID 154920567) is 3-[[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]imidazol-1-yl]methyl]piperidin-3-ol;hydrochloride.
What is the SMILES notation for 3-[[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]imidazol-1-yl]methyl]piperidin-3-ol;hydrochloride?
The canonical SMILES for 3-[[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]imidazol-1-yl]methyl]piperidin-3-ol;hydrochloride is Cl.OC1(Cn2ccnc2-c2nc(-c3ccc(F)cc3)cs2)CCCNC1.
What is the InChIKey of 3-[[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]imidazol-1-yl]methyl]piperidin-3-ol;hydrochloride?
The InChIKey is XIRCXGQJINDBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4OS.ClH/c19-14-4-2-13(3-5-14)15-10-25-17(22-15)16-21-8-9-23(16)12-18(24)6-1-7-20-11-18;/h2-5,8-10,20,24H,1,6-7,11-12H2;1H.
What are the key properties of 3-[[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]imidazol-1-yl]methyl]piperidin-3-ol;hydrochloride?
3-[[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]imidazol-1-yl]methyl]piperidin-3-ol;hydrochloride has a molecular weight of 394.90 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]imidazol-1-yl]methyl]piperidin-3-ol;hydrochloride is sourced from PubChem (CID 154920567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).