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

C17H18ClFN4OS — CID 154922035

IUPAC2-[[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]imidazol-1-yl]methyl]morpholine;hydrochloride
SMILESCl.Fc1ccc(-c2csc(-c3nccn3CC3CNCCO3)n2)cc1
InChIInChI=1S/C17H17FN4OS.ClH/c18-13-3-1-12(2-4-13)15-11-24-17(21-15)16-20-5-7-22(16)10-14-9-19-6-8-23-14;/h1-5,7,11,14,19H,6,8-10H2;1H
InChIKeyXHAFTSPIRVSHAM-UHFFFAOYSA-N
MW380.88 g/mol
LogP3.22
Rot. Bonds4

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

2-[[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]imidazol-1-yl]methyl]morpholine;hydrochloride (PubChem CID 154922035) has the molecular formula C17H18ClFN4OS and a molecular weight of 380.88 g/mol. Its IUPAC name is 2-[[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]imidazol-1-yl]methyl]morpholine;hydrochloride.

Molecular Properties

Compound Name2-[[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]imidazol-1-yl]methyl]morpholine;hydrochloride
PubChem CID154922035
Molecular FormulaC17H18ClFN4OS
Molecular Weight380.88 g/mol
Exact Mass380.09
IUPAC Name2-[[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]imidazol-1-yl]methyl]morpholine;hydrochloride
SMILESCl.Fc1ccc(-c2csc(-c3nccn3CC3CNCCO3)n2)cc1
InChIInChI=1S/C17H17FN4OS.ClH/c18-13-3-1-12(2-4-13)15-11-24-17(21-15)16-20-5-7-22(16)10-14-9-19-6-8-23-14;/h1-5,7,11,14,19H,6,8-10H2;1H
InChIKeyXHAFTSPIRVSHAM-UHFFFAOYSA-N
XLogP3.22
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.88
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]imidazol-1-yl]methyl]morpholine;hydrochloride with MolForge

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Related Compounds

3-[[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]imidazol-1-yl]methyl]piperidin-3-ol;hydrochloride
CID 154920567
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7-chloro-3-[1-(morpholin-2-ylmethyl)imidazol-2-yl]-1H-quinolin-2-one;dihydrochloride
CID 154922445
(2S)-2-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]imidazol-1-yl]propanamide
CID 56880216
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CID 61071224
2-[1-(oxolan-2-ylmethyl)imidazol-2-yl]pyridine
CID 155916058
6-(4-fluorophenyl)-N-(2-morpholin-2-ylethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 167959752
2-morpholin-2-yl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]acetamide
CID 118769258
4-[1-(1,4-dioxan-2-ylmethyl)imidazol-2-yl]pyridine
CID 155910990
2-[[(2S)-morpholin-2-yl]methyl]isoindole-1,3-dione
CID 6932395
2-[[5-(1H-indol-2-yl)-4-phenylimidazol-1-yl]methyl]morpholine;dihydrochloride
CID 154890014
2-[(2S)-morpholin-2-yl]-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 125175454

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]imidazol-1-yl]methyl]morpholine;hydrochloride?
The IUPAC name of 2-[[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]imidazol-1-yl]methyl]morpholine;hydrochloride (CID 154922035) is 2-[[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]imidazol-1-yl]methyl]morpholine;hydrochloride.
What is the SMILES notation for 2-[[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]imidazol-1-yl]methyl]morpholine;hydrochloride?
The canonical SMILES for 2-[[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]imidazol-1-yl]methyl]morpholine;hydrochloride is Cl.Fc1ccc(-c2csc(-c3nccn3CC3CNCCO3)n2)cc1.
What is the InChIKey of 2-[[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]imidazol-1-yl]methyl]morpholine;hydrochloride?
The InChIKey is XHAFTSPIRVSHAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4OS.ClH/c18-13-3-1-12(2-4-13)15-11-24-17(21-15)16-20-5-7-22(16)10-14-9-19-6-8-23-14;/h1-5,7,11,14,19H,6,8-10H2;1H.
What are the key properties of 2-[[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]imidazol-1-yl]methyl]morpholine;hydrochloride?
2-[[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]imidazol-1-yl]methyl]morpholine;hydrochloride has a molecular weight of 380.88 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]imidazol-1-yl]methyl]morpholine;hydrochloride is sourced from PubChem (CID 154922035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).