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

C12H19ClN2OS — CID 43593130

IUPAC4-[2-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl]-2,2-dimethylmorpholine
SMILESCC1(C)CN(CCc2nc(CCl)cs2)CCO1
InChIInChI=1S/C12H19ClN2OS/c1-12(2)9-15(5-6-16-12)4-3-11-14-10(7-13)8-17-11/h8H,3-7,9H2,1-2H3
InChIKeyZXQWTDDDVGRWAZ-UHFFFAOYSA-N
MW274.82 g/mol
LogP2.54
Rot. Bonds4

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

4-[2-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl]-2,2-dimethylmorpholine (PubChem CID 43593130) has the molecular formula C12H19ClN2OS and a molecular weight of 274.82 g/mol. Its IUPAC name is 4-[2-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl]-2,2-dimethylmorpholine.

Molecular Properties

Compound Name4-[2-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl]-2,2-dimethylmorpholine
PubChem CID43593130
Molecular FormulaC12H19ClN2OS
Molecular Weight274.82 g/mol
Exact Mass274.09
IUPAC Name4-[2-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl]-2,2-dimethylmorpholine
SMILESCC1(C)CN(CCc2nc(CCl)cs2)CCO1
InChIInChI=1S/C12H19ClN2OS/c1-12(2)9-15(5-6-16-12)4-3-11-14-10(7-13)8-17-11/h8H,3-7,9H2,1-2H3
InChIKeyZXQWTDDDVGRWAZ-UHFFFAOYSA-N
XLogP2.54
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.82
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(chloromethyl)-1,3-thiazol-2-yl]-2,2-dimethylmorpholine
CID 43593146
2-[2-(4-tert-butylpiperazin-1-yl)ethyl]-4-(chloromethyl)-1,3-thiazole
CID 61433252
[4-[2-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl]morpholin-2-yl]methanol
CID 81204885
4-(chloromethyl)-2-[2-(1,3-dihydroisoindol-2-yl)ethyl]-1,3-thiazole
CID 62206798
1-[3-[4-(chloromethyl)-1,3-thiazol-2-yl]propyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106320949
[1-[2-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl]piperidin-4-yl]methanol
CID 43138386
4-(chloromethyl)-2-[2-[4-(methoxymethyl)piperidin-1-yl]ethyl]-1,3-thiazole
CID 63973702
2-[3-(azocan-1-yl)propyl]-4-(chloromethyl)-1,3-thiazole
CID 43320490
4-(chloromethyl)-2-[3-(4-propylpiperazin-1-yl)propyl]-1,3-thiazole
CID 43320470
4-(chloromethyl)-2-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethyl]-1,3-thiazole
CID 63777501
4-[3-[4-(chloromethyl)-1,3-thiazol-2-yl]propyl]thiomorpholine
CID 43138391
4-[4-[4-(chloromethyl)-1,3-thiazol-2-yl]butyl]-7,7-dimethyl-1,4-thiazepane
CID 107457594

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl]-2,2-dimethylmorpholine?
The IUPAC name of 4-[2-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl]-2,2-dimethylmorpholine (CID 43593130) is 4-[2-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl]-2,2-dimethylmorpholine.
What is the SMILES notation for 4-[2-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl]-2,2-dimethylmorpholine?
The canonical SMILES for 4-[2-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl]-2,2-dimethylmorpholine is CC1(C)CN(CCc2nc(CCl)cs2)CCO1.
What is the InChIKey of 4-[2-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl]-2,2-dimethylmorpholine?
The InChIKey is ZXQWTDDDVGRWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2OS/c1-12(2)9-15(5-6-16-12)4-3-11-14-10(7-13)8-17-11/h8H,3-7,9H2,1-2H3.
What are the key properties of 4-[2-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl]-2,2-dimethylmorpholine?
4-[2-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl]-2,2-dimethylmorpholine has a molecular weight of 274.82 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl]-2,2-dimethylmorpholine is sourced from PubChem (CID 43593130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).