(2R)-2-[4-(2-bromo-4,5-difluorophenyl)-1,3-thiazol-2-yl]morpholine

C13H11BrF2N2OS — CID 177183973

IUPAC(2R)-2-[4-(2-bromo-4,5-difluorophenyl)-1,3-thiazol-2-yl]morpholine
SMILESFc1cc(Br)c(-c2csc([C@H]3CNCCO3)n2)cc1F
InChIInChI=1S/C13H11BrF2N2OS/c14-8-4-10(16)9(15)3-7(8)11-6-20-13(18-11)12-5-17-1-2-19-12/h3-4,6,12,17H,1-2,5H2/t12-/m1/s1
InChIKeyXHDSWEBAUFUYOF-GFCCVEGCSA-N
MW361.21 g/mol
LogP3.51
Rot. Bonds2

About (2R)-2-[4-(2-bromo-4,5-difluorophenyl)-1,3-thiazol-2-yl]morpholine

(2R)-2-[4-(2-bromo-4,5-difluorophenyl)-1,3-thiazol-2-yl]morpholine (PubChem CID 177183973) has the molecular formula C13H11BrF2N2OS and a molecular weight of 361.21 g/mol. Its IUPAC name is (2R)-2-[4-(2-bromo-4,5-difluorophenyl)-1,3-thiazol-2-yl]morpholine.

Molecular Properties

Compound Name(2R)-2-[4-(2-bromo-4,5-difluorophenyl)-1,3-thiazol-2-yl]morpholine
PubChem CID177183973
Molecular FormulaC13H11BrF2N2OS
Molecular Weight361.21 g/mol
Exact Mass359.97
IUPAC Name(2R)-2-[4-(2-bromo-4,5-difluorophenyl)-1,3-thiazol-2-yl]morpholine
SMILESFc1cc(Br)c(-c2csc([C@H]3CNCCO3)n2)cc1F
InChIInChI=1S/C13H11BrF2N2OS/c14-8-4-10(16)9(15)3-7(8)11-6-20-13(18-11)12-5-17-1-2-19-12/h3-4,6,12,17H,1-2,5H2/t12-/m1/s1
InChIKeyXHDSWEBAUFUYOF-GFCCVEGCSA-N
XLogP3.51
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.21
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]morpholine
CID 114082858
(2R)-2-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]morpholine
CID 177184063
ethane;2-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]morpholine
CID 177183918
(2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)morpholine
CID 94782519
2-(5-bromothiophen-3-yl)morpholine
CID 131207648
6-bromo-3,4-difluoro-2-morpholin-2-ylphenol
CID 117474310
2-(4-bromo-2,3,5,6-tetrafluorophenyl)morpholine
CID 115111889
ethyl 2-morpholin-2-yl-1,3-thiazole-4-carboxylate;hydrobromide
CID 146083082
2-(2-propan-2-yl-1,3-thiazol-4-yl)morpholine
CID 82660630
2-[5-(4-bromo-2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 104637578
2-(2-cyclohexyl-1,3-thiazol-4-yl)morpholine
CID 116890353
(2R)-2-[3-fluoro-4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]phenyl]morpholine
CID 71656716

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(2-bromo-4,5-difluorophenyl)-1,3-thiazol-2-yl]morpholine?
The IUPAC name of (2R)-2-[4-(2-bromo-4,5-difluorophenyl)-1,3-thiazol-2-yl]morpholine (CID 177183973) is (2R)-2-[4-(2-bromo-4,5-difluorophenyl)-1,3-thiazol-2-yl]morpholine.
What is the SMILES notation for (2R)-2-[4-(2-bromo-4,5-difluorophenyl)-1,3-thiazol-2-yl]morpholine?
The canonical SMILES for (2R)-2-[4-(2-bromo-4,5-difluorophenyl)-1,3-thiazol-2-yl]morpholine is Fc1cc(Br)c(-c2csc([C@H]3CNCCO3)n2)cc1F.
What is the InChIKey of (2R)-2-[4-(2-bromo-4,5-difluorophenyl)-1,3-thiazol-2-yl]morpholine?
The InChIKey is XHDSWEBAUFUYOF-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H11BrF2N2OS/c14-8-4-10(16)9(15)3-7(8)11-6-20-13(18-11)12-5-17-1-2-19-12/h3-4,6,12,17H,1-2,5H2/t12-/m1/s1.
What are the key properties of (2R)-2-[4-(2-bromo-4,5-difluorophenyl)-1,3-thiazol-2-yl]morpholine?
(2R)-2-[4-(2-bromo-4,5-difluorophenyl)-1,3-thiazol-2-yl]morpholine has a molecular weight of 361.21 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(2-bromo-4,5-difluorophenyl)-1,3-thiazol-2-yl]morpholine is sourced from PubChem (CID 177183973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).