[4-[2-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl]morpholin-2-yl]methanol

C11H17ClN2O2S — CID 81204885

IUPAC[4-[2-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl]morpholin-2-yl]methanol
SMILESOCC1CN(CCc2nc(CCl)cs2)CCO1
InChIInChI=1S/C11H17ClN2O2S/c12-5-9-8-17-11(13-9)1-2-14-3-4-16-10(6-14)7-15/h8,10,15H,1-7H2
InChIKeyMQSTZBZQRFAINX-UHFFFAOYSA-N
MW276.79 g/mol
LogP1.12
Rot. Bonds5

About [4-[2-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl]morpholin-2-yl]methanol

[4-[2-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl]morpholin-2-yl]methanol (PubChem CID 81204885) has the molecular formula C11H17ClN2O2S and a molecular weight of 276.79 g/mol. Its IUPAC name is [4-[2-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl]morpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-[2-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl]morpholin-2-yl]methanol
PubChem CID81204885
Molecular FormulaC11H17ClN2O2S
Molecular Weight276.79 g/mol
Exact Mass276.07
IUPAC Name[4-[2-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl]morpholin-2-yl]methanol
SMILESOCC1CN(CCc2nc(CCl)cs2)CCO1
InChIInChI=1S/C11H17ClN2O2S/c12-5-9-8-17-11(13-9)1-2-14-3-4-16-10(6-14)7-15/h8,10,15H,1-7H2
InChIKeyMQSTZBZQRFAINX-UHFFFAOYSA-N
XLogP1.12
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.79
LogP ≤ 51.12
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-[2-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl]morpholin-2-yl]methanol?
The IUPAC name of [4-[2-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl]morpholin-2-yl]methanol (CID 81204885) is [4-[2-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl]morpholin-2-yl]methanol.
What is the SMILES notation for [4-[2-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl]morpholin-2-yl]methanol?
The canonical SMILES for [4-[2-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl]morpholin-2-yl]methanol is OCC1CN(CCc2nc(CCl)cs2)CCO1.
What is the InChIKey of [4-[2-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl]morpholin-2-yl]methanol?
The InChIKey is MQSTZBZQRFAINX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O2S/c12-5-9-8-17-11(13-9)1-2-14-3-4-16-10(6-14)7-15/h8,10,15H,1-7H2.
What are the key properties of [4-[2-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl]morpholin-2-yl]methanol?
[4-[2-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl]morpholin-2-yl]methanol has a molecular weight of 276.79 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl]morpholin-2-yl]methanol is sourced from PubChem (CID 81204885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).