(2R)-2-(4-tert-butyl-1,3-thiazol-2-yl)-4-(5-fluoro-2-pyridinyl)morpholine

C16H20FN3OS — CID 124880284

IUPAC(2R)-2-(4-tert-butyl-1,3-thiazol-2-yl)-4-(5-fluoro-2-pyridinyl)morpholine
SMILESCC(C)(C)c1csc([C@H]2CN(c3ccc(F)cn3)CCO2)n1
InChIInChI=1S/C16H20FN3OS/c1-16(2,3)13-10-22-15(19-13)12-9-20(6-7-21-12)14-5-4-11(17)8-18-14/h4-5,8,10,12H,6-7,9H2,1-3H3/t12-/m1/s1
InChIKeyAZLMLDQMMMZAFK-GFCCVEGCSA-N
MW321.42 g/mol
LogP3.55
Rot. Bonds2

About (2R)-2-(4-tert-butyl-1,3-thiazol-2-yl)-4-(5-fluoro-2-pyridinyl)morpholine

(2R)-2-(4-tert-butyl-1,3-thiazol-2-yl)-4-(5-fluoro-2-pyridinyl)morpholine (PubChem CID 124880284) has the molecular formula C16H20FN3OS and a molecular weight of 321.42 g/mol. Its IUPAC name is (2R)-2-(4-tert-butyl-1,3-thiazol-2-yl)-4-(5-fluoro-2-pyridinyl)morpholine.

Molecular Properties

Compound Name(2R)-2-(4-tert-butyl-1,3-thiazol-2-yl)-4-(5-fluoro-2-pyridinyl)morpholine
PubChem CID124880284
Molecular FormulaC16H20FN3OS
Molecular Weight321.42 g/mol
Exact Mass321.13
IUPAC Name(2R)-2-(4-tert-butyl-1,3-thiazol-2-yl)-4-(5-fluoro-2-pyridinyl)morpholine
SMILESCC(C)(C)c1csc([C@H]2CN(c3ccc(F)cn3)CCO2)n1
InChIInChI=1S/C16H20FN3OS/c1-16(2,3)13-10-22-15(19-13)12-9-20(6-7-21-12)14-5-4-11(17)8-18-14/h4-5,8,10,12H,6-7,9H2,1-3H3/t12-/m1/s1
InChIKeyAZLMLDQMMMZAFK-GFCCVEGCSA-N
XLogP3.55
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

(2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)-4-cyclopropylsulfonylmorpholine
CID 99840275
4-acetyl-2-[2-(4-tert-butyl-1,3-thiazol-2-yl)morpholin-4-yl]benzonitrile
CID 133457235
(2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)-4-[(5-chloropyrazin-2-yl)methyl]morpholine
CID 100683282
2-[(2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)morpholin-4-yl]acetic acid
CID 124681690
[(2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)morpholin-4-yl]-pyridin-2-ylmethanone
CID 100746996
1-[(2R)-2-(4-tert-butyl-1,3-thiazol-2-yl)morpholin-4-yl]-2-cyclopropylethanone
CID 124737612
(2S)-2-(4-methyl-1,3-thiazol-2-yl)-4-quinoxalin-2-ylmorpholine
CID 95138385
[(2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)morpholin-4-yl]-[(2R)-oxolan-2-yl]methanone
CID 124726438
2-(bromomethyl)-4-(5-fluoro-2-pyridinyl)morpholine
CID 81210294
3-[2-(4-tert-butyl-1,3-thiazol-2-yl)morpholin-4-yl]butanenitrile
CID 86772841
(2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)-4-(2-pyrazol-1-ylethyl)morpholine
CID 95144845
(2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)morpholine
CID 94782519

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-tert-butyl-1,3-thiazol-2-yl)-4-(5-fluoro-2-pyridinyl)morpholine?
The IUPAC name of (2R)-2-(4-tert-butyl-1,3-thiazol-2-yl)-4-(5-fluoro-2-pyridinyl)morpholine (CID 124880284) is (2R)-2-(4-tert-butyl-1,3-thiazol-2-yl)-4-(5-fluoro-2-pyridinyl)morpholine.
What is the SMILES notation for (2R)-2-(4-tert-butyl-1,3-thiazol-2-yl)-4-(5-fluoro-2-pyridinyl)morpholine?
The canonical SMILES for (2R)-2-(4-tert-butyl-1,3-thiazol-2-yl)-4-(5-fluoro-2-pyridinyl)morpholine is CC(C)(C)c1csc([C@H]2CN(c3ccc(F)cn3)CCO2)n1.
What is the InChIKey of (2R)-2-(4-tert-butyl-1,3-thiazol-2-yl)-4-(5-fluoro-2-pyridinyl)morpholine?
The InChIKey is AZLMLDQMMMZAFK-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H20FN3OS/c1-16(2,3)13-10-22-15(19-13)12-9-20(6-7-21-12)14-5-4-11(17)8-18-14/h4-5,8,10,12H,6-7,9H2,1-3H3/t12-/m1/s1.
What are the key properties of (2R)-2-(4-tert-butyl-1,3-thiazol-2-yl)-4-(5-fluoro-2-pyridinyl)morpholine?
(2R)-2-(4-tert-butyl-1,3-thiazol-2-yl)-4-(5-fluoro-2-pyridinyl)morpholine has a molecular weight of 321.42 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-tert-butyl-1,3-thiazol-2-yl)-4-(5-fluoro-2-pyridinyl)morpholine is sourced from PubChem (CID 124880284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).