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

C11H17ClN2OS — CID 43613564

IUPAC4-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-3-ethylmorpholine
SMILESCCC1COCCN1Cc1nc(CCl)cs1
InChIInChI=1S/C11H17ClN2OS/c1-2-10-7-15-4-3-14(10)6-11-13-9(5-12)8-16-11/h8,10H,2-7H2,1H3
InChIKeyCPTMJNNCQUHYNI-UHFFFAOYSA-N
MW260.79 g/mol
LogP2.49
Rot. Bonds4

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

4-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-3-ethylmorpholine (PubChem CID 43613564) has the molecular formula C11H17ClN2OS and a molecular weight of 260.79 g/mol. Its IUPAC name is 4-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-3-ethylmorpholine.

Molecular Properties

Compound Name4-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-3-ethylmorpholine
PubChem CID43613564
Molecular FormulaC11H17ClN2OS
Molecular Weight260.79 g/mol
Exact Mass260.08
IUPAC Name4-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-3-ethylmorpholine
SMILESCCC1COCCN1Cc1nc(CCl)cs1
InChIInChI=1S/C11H17ClN2OS/c1-2-10-7-15-4-3-14(10)6-11-13-9(5-12)8-16-11/h8,10H,2-7H2,1H3
InChIKeyCPTMJNNCQUHYNI-UHFFFAOYSA-N
XLogP2.49
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.79
LogP ≤ 52.49
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]methyl]-3-ethylmorpholine?
The IUPAC name of 4-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-3-ethylmorpholine (CID 43613564) is 4-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-3-ethylmorpholine.
What is the SMILES notation for 4-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-3-ethylmorpholine?
The canonical SMILES for 4-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-3-ethylmorpholine is CCC1COCCN1Cc1nc(CCl)cs1.
What is the InChIKey of 4-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-3-ethylmorpholine?
The InChIKey is CPTMJNNCQUHYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2OS/c1-2-10-7-15-4-3-14(10)6-11-13-9(5-12)8-16-11/h8,10H,2-7H2,1H3.
What are the key properties of 4-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-3-ethylmorpholine?
4-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-3-ethylmorpholine has a molecular weight of 260.79 g/mol, XLogP of 2.49, 4 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]methyl]-3-ethylmorpholine is sourced from PubChem (CID 43613564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).