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

C9H13ClN2OS — CID 23076350

IUPAC4-[4-(chloromethyl)-5-methyl-1,3-thiazol-2-yl]morpholine
SMILESCc1sc(N2CCOCC2)nc1CCl
InChIInChI=1S/C9H13ClN2OS/c1-7-8(6-10)11-9(14-7)12-2-4-13-5-3-12/h2-6H2,1H3
InChIKeyZDRFJEPPITXBIC-UHFFFAOYSA-N
MW232.74 g/mol
LogP2.03
Rot. Bonds2

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

4-[4-(chloromethyl)-5-methyl-1,3-thiazol-2-yl]morpholine (PubChem CID 23076350) has the molecular formula C9H13ClN2OS and a molecular weight of 232.74 g/mol. Its IUPAC name is 4-[4-(chloromethyl)-5-methyl-1,3-thiazol-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-(chloromethyl)-5-methyl-1,3-thiazol-2-yl]morpholine
PubChem CID23076350
Molecular FormulaC9H13ClN2OS
Molecular Weight232.74 g/mol
Exact Mass232.04
IUPAC Name4-[4-(chloromethyl)-5-methyl-1,3-thiazol-2-yl]morpholine
SMILESCc1sc(N2CCOCC2)nc1CCl
InChIInChI=1S/C9H13ClN2OS/c1-7-8(6-10)11-9(14-7)12-2-4-13-5-3-12/h2-6H2,1H3
InChIKeyZDRFJEPPITXBIC-UHFFFAOYSA-N
XLogP2.03
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.74
LogP ≤ 52.03
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)-5-methyl-1,3-thiazol-2-yl]morpholine?
The IUPAC name of 4-[4-(chloromethyl)-5-methyl-1,3-thiazol-2-yl]morpholine (CID 23076350) is 4-[4-(chloromethyl)-5-methyl-1,3-thiazol-2-yl]morpholine.
What is the SMILES notation for 4-[4-(chloromethyl)-5-methyl-1,3-thiazol-2-yl]morpholine?
The canonical SMILES for 4-[4-(chloromethyl)-5-methyl-1,3-thiazol-2-yl]morpholine is Cc1sc(N2CCOCC2)nc1CCl.
What is the InChIKey of 4-[4-(chloromethyl)-5-methyl-1,3-thiazol-2-yl]morpholine?
The InChIKey is ZDRFJEPPITXBIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2OS/c1-7-8(6-10)11-9(14-7)12-2-4-13-5-3-12/h2-6H2,1H3.
What are the key properties of 4-[4-(chloromethyl)-5-methyl-1,3-thiazol-2-yl]morpholine?
4-[4-(chloromethyl)-5-methyl-1,3-thiazol-2-yl]morpholine has a molecular weight of 232.74 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(chloromethyl)-5-methyl-1,3-thiazol-2-yl]morpholine is sourced from PubChem (CID 23076350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).