(2S)-4-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-(4-fluorophenyl)morpholine

C16H19FN2OS — CID 94007254

IUPAC(2S)-4-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-(4-fluorophenyl)morpholine
SMILESCCc1nc(CN2CCO[C@@H](c3ccc(F)cc3)C2)cs1
InChIInChI=1S/C16H19FN2OS/c1-2-16-18-14(11-21-16)9-19-7-8-20-15(10-19)12-3-5-13(17)6-4-12/h3-6,11,15H,2,7-10H2,1H3/t15-/m1/s1
InChIKeyHAPUZJNFIPYZOU-OAHLLOKOSA-N
MW306.41 g/mol
LogP3.42
Rot. Bonds4

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

(2S)-4-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-(4-fluorophenyl)morpholine (PubChem CID 94007254) has the molecular formula C16H19FN2OS and a molecular weight of 306.41 g/mol. Its IUPAC name is (2S)-4-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-(4-fluorophenyl)morpholine.

Molecular Properties

Compound Name(2S)-4-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-(4-fluorophenyl)morpholine
PubChem CID94007254
Molecular FormulaC16H19FN2OS
Molecular Weight306.41 g/mol
Exact Mass306.12
IUPAC Name(2S)-4-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-(4-fluorophenyl)morpholine
SMILESCCc1nc(CN2CCO[C@@H](c3ccc(F)cc3)C2)cs1
InChIInChI=1S/C16H19FN2OS/c1-2-16-18-14(11-21-16)9-19-7-8-20-15(10-19)12-3-5-13(17)6-4-12/h3-6,11,15H,2,7-10H2,1H3/t15-/m1/s1
InChIKeyHAPUZJNFIPYZOU-OAHLLOKOSA-N
XLogP3.42
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-(4-fluorophenyl)morpholine?
The IUPAC name of (2S)-4-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-(4-fluorophenyl)morpholine (CID 94007254) is (2S)-4-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-(4-fluorophenyl)morpholine.
What is the SMILES notation for (2S)-4-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-(4-fluorophenyl)morpholine?
The canonical SMILES for (2S)-4-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-(4-fluorophenyl)morpholine is CCc1nc(CN2CCO[C@@H](c3ccc(F)cc3)C2)cs1.
What is the InChIKey of (2S)-4-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-(4-fluorophenyl)morpholine?
The InChIKey is HAPUZJNFIPYZOU-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H19FN2OS/c1-2-16-18-14(11-21-16)9-19-7-8-20-15(10-19)12-3-5-13(17)6-4-12/h3-6,11,15H,2,7-10H2,1H3/t15-/m1/s1.
What are the key properties of (2S)-4-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-(4-fluorophenyl)morpholine?
(2S)-4-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-(4-fluorophenyl)morpholine has a molecular weight of 306.41 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-(4-fluorophenyl)morpholine is sourced from PubChem (CID 94007254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).