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

C11H17ClN2O2S — CID 81204811

IUPAC[4-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-5-methylmorpholin-2-yl]methanol
SMILESCC1COC(CO)CN1Cc1nc(CCl)cs1
InChIInChI=1S/C11H17ClN2O2S/c1-8-6-16-10(5-15)3-14(8)4-11-13-9(2-12)7-17-11/h7-8,10,15H,2-6H2,1H3
InChIKeyRFZITWIDPHUWKX-UHFFFAOYSA-N
MW276.79 g/mol
LogP1.46
Rot. Bonds4

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

[4-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-5-methylmorpholin-2-yl]methanol (PubChem CID 81204811) has the molecular formula C11H17ClN2O2S and a molecular weight of 276.79 g/mol. Its IUPAC name is [4-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-5-methylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-5-methylmorpholin-2-yl]methanol
PubChem CID81204811
Molecular FormulaC11H17ClN2O2S
Molecular Weight276.79 g/mol
Exact Mass276.07
IUPAC Name[4-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-5-methylmorpholin-2-yl]methanol
SMILESCC1COC(CO)CN1Cc1nc(CCl)cs1
InChIInChI=1S/C11H17ClN2O2S/c1-8-6-16-10(5-15)3-14(8)4-11-13-9(2-12)7-17-11/h7-8,10,15H,2-6H2,1H3
InChIKeyRFZITWIDPHUWKX-UHFFFAOYSA-N
XLogP1.46
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.79
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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]methyl]-5-methylmorpholin-2-yl]methanol?
The IUPAC name of [4-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-5-methylmorpholin-2-yl]methanol (CID 81204811) is [4-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-5-methylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-5-methylmorpholin-2-yl]methanol?
The canonical SMILES for [4-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-5-methylmorpholin-2-yl]methanol is CC1COC(CO)CN1Cc1nc(CCl)cs1.
What is the InChIKey of [4-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-5-methylmorpholin-2-yl]methanol?
The InChIKey is RFZITWIDPHUWKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O2S/c1-8-6-16-10(5-15)3-14(8)4-11-13-9(2-12)7-17-11/h7-8,10,15H,2-6H2,1H3.
What are the key properties of [4-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-5-methylmorpholin-2-yl]methanol?
[4-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-5-methylmorpholin-2-yl]methanol has a molecular weight of 276.79 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-5-methylmorpholin-2-yl]methanol is sourced from PubChem (CID 81204811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).