(2R)-4-[2-(4-nitrophenyl)ethyl]-2-(1,3-thiazol-2-yl)morpholine

C15H17N3O3S — CID 124628866

IUPAC(2R)-4-[2-(4-nitrophenyl)ethyl]-2-(1,3-thiazol-2-yl)morpholine
SMILESO=[N+]([O-])c1ccc(CCN2CCO[C@@H](c3nccs3)C2)cc1
InChIInChI=1S/C15H17N3O3S/c19-18(20)13-3-1-12(2-4-13)5-7-17-8-9-21-14(11-17)15-16-6-10-22-15/h1-4,6,10,14H,5,7-9,11H2/t14-/m1/s1
InChIKeyLGQBGPAOGSRYCY-CQSZACIVSA-N
MW319.39 g/mol
LogP2.67
Rot. Bonds5

About (2R)-4-[2-(4-nitrophenyl)ethyl]-2-(1,3-thiazol-2-yl)morpholine

(2R)-4-[2-(4-nitrophenyl)ethyl]-2-(1,3-thiazol-2-yl)morpholine (PubChem CID 124628866) has the molecular formula C15H17N3O3S and a molecular weight of 319.39 g/mol. Its IUPAC name is (2R)-4-[2-(4-nitrophenyl)ethyl]-2-(1,3-thiazol-2-yl)morpholine.

Molecular Properties

Compound Name(2R)-4-[2-(4-nitrophenyl)ethyl]-2-(1,3-thiazol-2-yl)morpholine
PubChem CID124628866
Molecular FormulaC15H17N3O3S
Molecular Weight319.39 g/mol
Exact Mass319.10
IUPAC Name(2R)-4-[2-(4-nitrophenyl)ethyl]-2-(1,3-thiazol-2-yl)morpholine
SMILESO=[N+]([O-])c1ccc(CCN2CCO[C@@H](c3nccs3)C2)cc1
InChIInChI=1S/C15H17N3O3S/c19-18(20)13-3-1-12(2-4-13)5-7-17-8-9-21-14(11-17)15-16-6-10-22-15/h1-4,6,10,14H,5,7-9,11H2/t14-/m1/s1
InChIKeyLGQBGPAOGSRYCY-CQSZACIVSA-N
XLogP2.67
TPSA68.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-methyl-6-[[(2R)-2-(1,3-thiazol-2-yl)morpholin-4-yl]methyl]-3,4-dihydroquinolin-2-one
CID 124619007
(2S)-4-[2-(2-methoxyphenoxy)ethyl]-2-(1,3-thiazol-2-yl)morpholine
CID 129403722
4-[(1-methylimidazol-2-yl)methyl]-2-(1,3-thiazol-2-yl)morpholine
CID 86775020
1-[2-(4-nitrophenyl)ethyl]pyrrolidine
CID 10536901
(2S)-4-[(5-methylpyrazin-2-yl)methyl]-2-(1,3-thiazol-2-yl)morpholine
CID 95156937
(3R)-1-[2-(4-nitrophenyl)ethyl]piperidin-3-amine
CID 102977402
N-methyl-N-propan-2-yl-5-[[(2R)-2-(1,3-thiazol-2-yl)morpholin-4-yl]methyl]pyridin-2-amine
CID 124739186
4-[2-(4-nitrocyclohexa-1,5-dien-1-yl)ethyl]-2-(4-nitrophenyl)morpholine
CID 163449268
1-[2-(4-nitrophenyl)ethyl]piperidin-3-amine;hydrochloride
CID 119909999
N-methyl-2-(1,3-thiazol-2-yl)morpholine-4-carboxamide
CID 127308401
(2R)-4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-2-(1,3-thiazol-2-yl)morpholine
CID 97158597
N-(1-cyanocyclopentyl)-2-[2-(1,3-thiazol-2-yl)morpholin-4-yl]acetamide
CID 86774972

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[2-(4-nitrophenyl)ethyl]-2-(1,3-thiazol-2-yl)morpholine?
The IUPAC name of (2R)-4-[2-(4-nitrophenyl)ethyl]-2-(1,3-thiazol-2-yl)morpholine (CID 124628866) is (2R)-4-[2-(4-nitrophenyl)ethyl]-2-(1,3-thiazol-2-yl)morpholine.
What is the SMILES notation for (2R)-4-[2-(4-nitrophenyl)ethyl]-2-(1,3-thiazol-2-yl)morpholine?
The canonical SMILES for (2R)-4-[2-(4-nitrophenyl)ethyl]-2-(1,3-thiazol-2-yl)morpholine is O=[N+]([O-])c1ccc(CCN2CCO[C@@H](c3nccs3)C2)cc1.
What is the InChIKey of (2R)-4-[2-(4-nitrophenyl)ethyl]-2-(1,3-thiazol-2-yl)morpholine?
The InChIKey is LGQBGPAOGSRYCY-CQSZACIVSA-N. The full InChI is InChI=1S/C15H17N3O3S/c19-18(20)13-3-1-12(2-4-13)5-7-17-8-9-21-14(11-17)15-16-6-10-22-15/h1-4,6,10,14H,5,7-9,11H2/t14-/m1/s1.
What are the key properties of (2R)-4-[2-(4-nitrophenyl)ethyl]-2-(1,3-thiazol-2-yl)morpholine?
(2R)-4-[2-(4-nitrophenyl)ethyl]-2-(1,3-thiazol-2-yl)morpholine has a molecular weight of 319.39 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[2-(4-nitrophenyl)ethyl]-2-(1,3-thiazol-2-yl)morpholine is sourced from PubChem (CID 124628866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).