(2R)-2-(4-fluorophenyl)-4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]morpholine

C18H17FN2OS2 — CID 36873445

IUPAC(2R)-2-(4-fluorophenyl)-4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]morpholine
SMILESFc1ccc([C@@H]2CN(Cc3csc(-c4ccsc4)n3)CCO2)cc1
InChIInChI=1S/C18H17FN2OS2/c19-15-3-1-13(2-4-15)17-10-21(6-7-22-17)9-16-12-24-18(20-16)14-5-8-23-11-14/h1-5,8,11-12,17H,6-7,9-10H2/t17-/m0/s1
InChIKeyQBQAHQZCJMBUNL-KRWDZBQOSA-N
MW360.48 g/mol
LogP4.58
Rot. Bonds4

About (2R)-2-(4-fluorophenyl)-4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]morpholine

(2R)-2-(4-fluorophenyl)-4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]morpholine (PubChem CID 36873445) has the molecular formula C18H17FN2OS2 and a molecular weight of 360.48 g/mol. Its IUPAC name is (2R)-2-(4-fluorophenyl)-4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]morpholine.

Molecular Properties

Compound Name(2R)-2-(4-fluorophenyl)-4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]morpholine
PubChem CID36873445
Molecular FormulaC18H17FN2OS2
Molecular Weight360.48 g/mol
Exact Mass360.08
IUPAC Name(2R)-2-(4-fluorophenyl)-4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]morpholine
SMILESFc1ccc([C@@H]2CN(Cc3csc(-c4ccsc4)n3)CCO2)cc1
InChIInChI=1S/C18H17FN2OS2/c19-15-3-1-13(2-4-15)17-10-21(6-7-22-17)9-16-12-24-18(20-16)14-5-8-23-11-14/h1-5,8,11-12,17H,6-7,9-10H2/t17-/m0/s1
InChIKeyQBQAHQZCJMBUNL-KRWDZBQOSA-N
XLogP4.58
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1'-[(4-phenyl-1,3-thiazol-2-yl)methyl]spiro[1H-2-benzofuran-3,4'-piperidine]
CID 44561302
1'-[(2-phenyl-1,3-thiazol-4-yl)methyl]spiro[1H-2-benzofuran-3,4'-piperidine]
CID 44561303
(3,4-Difluorophenyl)-(4-thiophen-2-yl-1,3-thiazol-2-yl)methanol
CID 49790382
2-[[3-[[3,5-Bis(trifluoromethyl)phenyl]methoxy]-2-phenylpiperidin-1-yl]methyl]-4-methyl-1,3-thiazole
CID 44211408
(4-Fluorophenyl)-(4-thiophen-2-yl-1,3-thiazol-2-yl)methanol
CID 46943095
1-(3,4-Difluorophenyl)-2-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylamino]ethanol
CID 47073673
(1R)-1-(3-fluorophenyl)-2-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylamino]ethanol
CID 97557916
N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-[5-[(2S)-oxan-2-yl]thiophen-2-yl]methanamine
CID 99934029
1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-3,5-dihydro-2H-4,1-benzoxazepine
CID 119050541
2-[[(2R,3R)-3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpiperidin-1-yl]methyl]-4-methyl-1,3-thiazole
CID 54255391
5-Fluoro-2-[(1-methylpiperidin-4-yl)oxy-phenylmethyl]-1,3-benzothiazole
CID 56947325
2-[(4-Fluorophenyl)-(1-methylpiperidin-4-yl)oxymethyl]-1,3-benzothiazole
CID 56949079

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-fluorophenyl)-4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]morpholine?
The IUPAC name of (2R)-2-(4-fluorophenyl)-4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]morpholine (CID 36873445) is (2R)-2-(4-fluorophenyl)-4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]morpholine.
What is the SMILES notation for (2R)-2-(4-fluorophenyl)-4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]morpholine?
The canonical SMILES for (2R)-2-(4-fluorophenyl)-4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]morpholine is Fc1ccc([C@@H]2CN(Cc3csc(-c4ccsc4)n3)CCO2)cc1.
What is the InChIKey of (2R)-2-(4-fluorophenyl)-4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]morpholine?
The InChIKey is QBQAHQZCJMBUNL-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H17FN2OS2/c19-15-3-1-13(2-4-15)17-10-21(6-7-22-17)9-16-12-24-18(20-16)14-5-8-23-11-14/h1-5,8,11-12,17H,6-7,9-10H2/t17-/m0/s1.
What are the key properties of (2R)-2-(4-fluorophenyl)-4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]morpholine?
(2R)-2-(4-fluorophenyl)-4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]morpholine has a molecular weight of 360.48 g/mol, XLogP of 4.58, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-fluorophenyl)-4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]morpholine is sourced from PubChem (CID 36873445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).