3-(1,3-thiazol-5-yl)morpholine

C7H10N2OS — CID 82598222

IUPAC3-(1,3-thiazol-5-yl)morpholine
SMILESc1ncc(C2COCCN2)s1
InChIInChI=1S/C7H10N2OS/c1-2-10-4-6(9-1)7-3-8-5-11-7/h3,5-6,9H,1-2,4H2
InChIKeyAGKJPKXGONOKGR-UHFFFAOYSA-N
MW170.24 g/mol
LogP0.80
Rot. Bonds1

About 3-(1,3-thiazol-5-yl)morpholine

3-(1,3-thiazol-5-yl)morpholine (PubChem CID 82598222) has the molecular formula C7H10N2OS and a molecular weight of 170.24 g/mol. Its IUPAC name is 3-(1,3-thiazol-5-yl)morpholine.

Molecular Properties

Compound Name3-(1,3-thiazol-5-yl)morpholine
PubChem CID82598222
Molecular FormulaC7H10N2OS
Molecular Weight170.24 g/mol
Exact Mass170.05
IUPAC Name3-(1,3-thiazol-5-yl)morpholine
SMILESc1ncc(C2COCCN2)s1
InChIInChI=1S/C7H10N2OS/c1-2-10-4-6(9-1)7-3-8-5-11-7/h3,5-6,9H,1-2,4H2
InChIKeyAGKJPKXGONOKGR-UHFFFAOYSA-N
XLogP0.80
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.24
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-bromo-1,3-thiazol-2-yl)morpholine
CID 83693202
(3S)-3-(2-methyl-1,3-thiazol-4-yl)morpholine
CID 96626970
5-[(2R,4R)-4-chloropyrrolidin-2-yl]-1,3-thiazole
CID 177219966
3-(4-phenyl-1,3-thiazol-2-yl)morpholine
CID 83439832
3-(5-bromo-4-methylthiophen-2-yl)morpholine
CID 130059273
3-(4-bromo-5-chlorothiophen-2-yl)morpholine
CID 130880379
3-(3-fluoro-4-pyridinyl)morpholine
CID 55282870
3-(3-chloro-4-pyridinyl)morpholine
CID 55273452
(3S)-3-(4-iodophenyl)morpholine
CID 130690924
(3R)-3-(3-chlorothiophen-2-yl)morpholine
CID 96860760
3-(5-chloro-1H-pyrazol-4-yl)morpholine
CID 84770590
(3S)-3-(5-nitrothiophen-2-yl)morpholine
CID 130747257

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-thiazol-5-yl)morpholine?
The IUPAC name of 3-(1,3-thiazol-5-yl)morpholine (CID 82598222) is 3-(1,3-thiazol-5-yl)morpholine.
What is the SMILES notation for 3-(1,3-thiazol-5-yl)morpholine?
The canonical SMILES for 3-(1,3-thiazol-5-yl)morpholine is c1ncc(C2COCCN2)s1.
What is the InChIKey of 3-(1,3-thiazol-5-yl)morpholine?
The InChIKey is AGKJPKXGONOKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2OS/c1-2-10-4-6(9-1)7-3-8-5-11-7/h3,5-6,9H,1-2,4H2.
What are the key properties of 3-(1,3-thiazol-5-yl)morpholine?
3-(1,3-thiazol-5-yl)morpholine has a molecular weight of 170.24 g/mol, XLogP of 0.80, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-thiazol-5-yl)morpholine is sourced from PubChem (CID 82598222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).