4-[(2-chloro-1,3-thiazol-5-yl)methyl]morpholine

C8H11ClN2OS — CID 2764390

IUPAC4-[(2-chloro-1,3-thiazol-5-yl)methyl]morpholine
SMILESClc1ncc(CN2CCOCC2)s1
InChIInChI=1S/C8H11ClN2OS/c9-8-10-5-7(13-8)6-11-1-3-12-4-2-11/h5H,1-4,6H2
InChIKeyAALSSYAAIJCBOZ-UHFFFAOYSA-N
MW218.71 g/mol
LogP1.63
Rot. Bonds2

About 4-[(2-chloro-1,3-thiazol-5-yl)methyl]morpholine

4-[(2-chloro-1,3-thiazol-5-yl)methyl]morpholine (PubChem CID 2764390) has the molecular formula C8H11ClN2OS and a molecular weight of 218.71 g/mol. Its IUPAC name is 4-[(2-chloro-1,3-thiazol-5-yl)methyl]morpholine.

Molecular Properties

Compound Name4-[(2-chloro-1,3-thiazol-5-yl)methyl]morpholine
PubChem CID2764390
Molecular FormulaC8H11ClN2OS
Molecular Weight218.71 g/mol
Exact Mass218.03
IUPAC Name4-[(2-chloro-1,3-thiazol-5-yl)methyl]morpholine
SMILESClc1ncc(CN2CCOCC2)s1
InChIInChI=1S/C8H11ClN2OS/c9-8-10-5-7(13-8)6-11-1-3-12-4-2-11/h5H,1-4,6H2
InChIKeyAALSSYAAIJCBOZ-UHFFFAOYSA-N
XLogP1.63
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.71
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-1,3-thiazol-5-yl)methyl]morpholine?
The IUPAC name of 4-[(2-chloro-1,3-thiazol-5-yl)methyl]morpholine (CID 2764390) is 4-[(2-chloro-1,3-thiazol-5-yl)methyl]morpholine.
What is the SMILES notation for 4-[(2-chloro-1,3-thiazol-5-yl)methyl]morpholine?
The canonical SMILES for 4-[(2-chloro-1,3-thiazol-5-yl)methyl]morpholine is Clc1ncc(CN2CCOCC2)s1.
What is the InChIKey of 4-[(2-chloro-1,3-thiazol-5-yl)methyl]morpholine?
The InChIKey is AALSSYAAIJCBOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2OS/c9-8-10-5-7(13-8)6-11-1-3-12-4-2-11/h5H,1-4,6H2.
What are the key properties of 4-[(2-chloro-1,3-thiazol-5-yl)methyl]morpholine?
4-[(2-chloro-1,3-thiazol-5-yl)methyl]morpholine has a molecular weight of 218.71 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloro-1,3-thiazol-5-yl)methyl]morpholine is sourced from PubChem (CID 2764390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).