(2R)-2-(2-chloro-4-fluorophenyl)-4-(1,3-thiazol-4-ylmethyl)morpholine

C14H14ClFN2OS — CID 124619828

IUPAC(2R)-2-(2-chloro-4-fluorophenyl)-4-(1,3-thiazol-4-ylmethyl)morpholine
SMILESFc1ccc([C@@H]2CN(Cc3cscn3)CCO2)c(Cl)c1
InChIInChI=1S/C14H14ClFN2OS/c15-13-5-10(16)1-2-12(13)14-7-18(3-4-19-14)6-11-8-20-9-17-11/h1-2,5,8-9,14H,3-4,6-7H2/t14-/m0/s1
InChIKeyQPXZUBAXNZYBAN-AWEZNQCLSA-N
MW312.80 g/mol
LogP3.51
Rot. Bonds3

About (2R)-2-(2-chloro-4-fluorophenyl)-4-(1,3-thiazol-4-ylmethyl)morpholine

(2R)-2-(2-chloro-4-fluorophenyl)-4-(1,3-thiazol-4-ylmethyl)morpholine (PubChem CID 124619828) has the molecular formula C14H14ClFN2OS and a molecular weight of 312.80 g/mol. Its IUPAC name is (2R)-2-(2-chloro-4-fluorophenyl)-4-(1,3-thiazol-4-ylmethyl)morpholine.

Molecular Properties

Compound Name(2R)-2-(2-chloro-4-fluorophenyl)-4-(1,3-thiazol-4-ylmethyl)morpholine
PubChem CID124619828
Molecular FormulaC14H14ClFN2OS
Molecular Weight312.80 g/mol
Exact Mass312.05
IUPAC Name(2R)-2-(2-chloro-4-fluorophenyl)-4-(1,3-thiazol-4-ylmethyl)morpholine
SMILESFc1ccc([C@@H]2CN(Cc3cscn3)CCO2)c(Cl)c1
InChIInChI=1S/C14H14ClFN2OS/c15-13-5-10(16)1-2-12(13)14-7-18(3-4-19-14)6-11-8-20-9-17-11/h1-2,5,8-9,14H,3-4,6-7H2/t14-/m0/s1
InChIKeyQPXZUBAXNZYBAN-AWEZNQCLSA-N
XLogP3.51
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(2-chloro-4-fluorophenyl)-4-(thiadiazol-4-ylmethyl)morpholine
CID 124619492
5-[[2-(2-chloro-4-fluorophenyl)morpholin-4-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120904693
2-[[(2S)-2-(2-chloro-4-fluorophenyl)morpholin-4-yl]methyl]pyrimidin-4-amine
CID 124619849
(2R)-2-(2-chloro-4-fluorophenyl)-4-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine
CID 124619834
5-[[2-(2-chloro-4-fluorophenyl)morpholin-4-yl]methyl]furan-3-carboxylic acid
CID 154746798
(2R)-2-(2-chloro-4-fluorophenyl)-4-(2-ethylsulfonylethyl)morpholine
CID 124619802
(2S)-2-[4-(difluoromethoxy)phenyl]-4-(1,3-thiazol-4-ylmethyl)morpholine
CID 124883890
[4-(1,3-thiazol-4-ylmethyl)morpholin-2-yl]methanol
CID 79833284
(2S)-4-[(2-chloro-4-fluorophenyl)methyl]-2-(2-methylpyrimidin-4-yl)morpholine
CID 124962421
(2R)-4-[(2-chloro-4-fluorophenyl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine
CID 97316109
(2R)-2-(2,4-dichloro-5-fluorophenyl)-4-[(1-methylimidazol-2-yl)methyl]morpholine
CID 95303821
(2R)-2-(2,4-dichloro-5-fluorophenyl)-4-[(5-methyl-1,3-oxazol-2-yl)methyl]morpholine
CID 124505775

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-chloro-4-fluorophenyl)-4-(1,3-thiazol-4-ylmethyl)morpholine?
The IUPAC name of (2R)-2-(2-chloro-4-fluorophenyl)-4-(1,3-thiazol-4-ylmethyl)morpholine (CID 124619828) is (2R)-2-(2-chloro-4-fluorophenyl)-4-(1,3-thiazol-4-ylmethyl)morpholine.
What is the SMILES notation for (2R)-2-(2-chloro-4-fluorophenyl)-4-(1,3-thiazol-4-ylmethyl)morpholine?
The canonical SMILES for (2R)-2-(2-chloro-4-fluorophenyl)-4-(1,3-thiazol-4-ylmethyl)morpholine is Fc1ccc([C@@H]2CN(Cc3cscn3)CCO2)c(Cl)c1.
What is the InChIKey of (2R)-2-(2-chloro-4-fluorophenyl)-4-(1,3-thiazol-4-ylmethyl)morpholine?
The InChIKey is QPXZUBAXNZYBAN-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H14ClFN2OS/c15-13-5-10(16)1-2-12(13)14-7-18(3-4-19-14)6-11-8-20-9-17-11/h1-2,5,8-9,14H,3-4,6-7H2/t14-/m0/s1.
What are the key properties of (2R)-2-(2-chloro-4-fluorophenyl)-4-(1,3-thiazol-4-ylmethyl)morpholine?
(2R)-2-(2-chloro-4-fluorophenyl)-4-(1,3-thiazol-4-ylmethyl)morpholine has a molecular weight of 312.80 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-chloro-4-fluorophenyl)-4-(1,3-thiazol-4-ylmethyl)morpholine is sourced from PubChem (CID 124619828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).