4-[4-(chloromethyl)-1,3-thiazol-2-yl]morpholine

C8H11ClN2OS — CID 15290886

IUPAC4-[4-(chloromethyl)-1,3-thiazol-2-yl]morpholine
SMILESClCc1csc(N2CCOCC2)n1
InChIInChI=1S/C8H11ClN2OS/c9-5-7-6-13-8(10-7)11-1-3-12-4-2-11/h6H,1-5H2
InChIKeyYDYSHKODLGBPQN-UHFFFAOYSA-N
MW218.71 g/mol
LogP1.72
Rot. Bonds2

About 4-[4-(chloromethyl)-1,3-thiazol-2-yl]morpholine

4-[4-(chloromethyl)-1,3-thiazol-2-yl]morpholine (PubChem CID 15290886) has the molecular formula C8H11ClN2OS and a molecular weight of 218.71 g/mol. Its IUPAC name is 4-[4-(chloromethyl)-1,3-thiazol-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-(chloromethyl)-1,3-thiazol-2-yl]morpholine
PubChem CID15290886
Molecular FormulaC8H11ClN2OS
Molecular Weight218.71 g/mol
Exact Mass218.03
IUPAC Name4-[4-(chloromethyl)-1,3-thiazol-2-yl]morpholine
SMILESClCc1csc(N2CCOCC2)n1
InChIInChI=1S/C8H11ClN2OS/c9-5-7-6-13-8(10-7)11-1-3-12-4-2-11/h6H,1-5H2
InChIKeyYDYSHKODLGBPQN-UHFFFAOYSA-N
XLogP1.72
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 ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(chloromethyl)-1,3-thiazol-2-yl]morpholine?
The IUPAC name of 4-[4-(chloromethyl)-1,3-thiazol-2-yl]morpholine (CID 15290886) is 4-[4-(chloromethyl)-1,3-thiazol-2-yl]morpholine.
What is the SMILES notation for 4-[4-(chloromethyl)-1,3-thiazol-2-yl]morpholine?
The canonical SMILES for 4-[4-(chloromethyl)-1,3-thiazol-2-yl]morpholine is ClCc1csc(N2CCOCC2)n1.
What is the InChIKey of 4-[4-(chloromethyl)-1,3-thiazol-2-yl]morpholine?
The InChIKey is YDYSHKODLGBPQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2OS/c9-5-7-6-13-8(10-7)11-1-3-12-4-2-11/h6H,1-5H2.
What are the key properties of 4-[4-(chloromethyl)-1,3-thiazol-2-yl]morpholine?
4-[4-(chloromethyl)-1,3-thiazol-2-yl]morpholine has a molecular weight of 218.71 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(chloromethyl)-1,3-thiazol-2-yl]morpholine is sourced from PubChem (CID 15290886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).