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

C10H15ClN2OS — CID 43593146

IUPAC4-[4-(chloromethyl)-1,3-thiazol-2-yl]-2,2-dimethylmorpholine
SMILESCC1(C)CN(c2nc(CCl)cs2)CCO1
InChIInChI=1S/C10H15ClN2OS/c1-10(2)7-13(3-4-14-10)9-12-8(5-11)6-15-9/h6H,3-5,7H2,1-2H3
InChIKeyCUNWUIOQXTVEBC-UHFFFAOYSA-N
MW246.76 g/mol
LogP2.50
Rot. Bonds2

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

4-[4-(chloromethyl)-1,3-thiazol-2-yl]-2,2-dimethylmorpholine (PubChem CID 43593146) has the molecular formula C10H15ClN2OS and a molecular weight of 246.76 g/mol. Its IUPAC name is 4-[4-(chloromethyl)-1,3-thiazol-2-yl]-2,2-dimethylmorpholine.

Molecular Properties

Compound Name4-[4-(chloromethyl)-1,3-thiazol-2-yl]-2,2-dimethylmorpholine
PubChem CID43593146
Molecular FormulaC10H15ClN2OS
Molecular Weight246.76 g/mol
Exact Mass246.06
IUPAC Name4-[4-(chloromethyl)-1,3-thiazol-2-yl]-2,2-dimethylmorpholine
SMILESCC1(C)CN(c2nc(CCl)cs2)CCO1
InChIInChI=1S/C10H15ClN2OS/c1-10(2)7-13(3-4-14-10)9-12-8(5-11)6-15-9/h6H,3-5,7H2,1-2H3
InChIKeyCUNWUIOQXTVEBC-UHFFFAOYSA-N
XLogP2.50
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.76
LogP ≤ 52.50
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-[2-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl]-2,2-dimethylmorpholine
CID 43593130
4-(chloromethyl)-2-(3-methoxy-3-methylazetidin-1-yl)-1,3-thiazole
CID 130964274
4-[2-(chloromethyl)quinolin-4-yl]-2,2-dimethylmorpholine
CID 63375123
4-[4-(chloromethyl)-3-pyridinyl]-2,2-dimethylmorpholine
CID 105067324
4-(chloromethyl)-2-(4-ethyl-3-methylpiperazin-1-yl)-1,3-thiazole
CID 63635882
4-(chloromethyl)-2-(3,4-dimethoxypyrrolidin-1-yl)-1,3-thiazole
CID 103536912
4-[3-(chloromethyl)-4,6-dimethyl-2-pyridinyl]-2,2-dimethylmorpholine
CID 61256841
4-(chloromethyl)-2-(3-methylpiperidin-1-yl)-1,3-thiazole
CID 43532074
N-[[2-(2,2-dimethylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 62751980
N-[[2-(2,2-dimethylmorpholin-4-yl)-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 62767480
2,2-dimethyl-4-phenylmorpholine
CID 15576765
6-(bromomethyl)-4-(4-ethyl-1,3-thiazol-2-yl)-2,2-dimethylmorpholine
CID 114780974

Frequently Asked Questions

What is the IUPAC name of 4-[4-(chloromethyl)-1,3-thiazol-2-yl]-2,2-dimethylmorpholine?
The IUPAC name of 4-[4-(chloromethyl)-1,3-thiazol-2-yl]-2,2-dimethylmorpholine (CID 43593146) is 4-[4-(chloromethyl)-1,3-thiazol-2-yl]-2,2-dimethylmorpholine.
What is the SMILES notation for 4-[4-(chloromethyl)-1,3-thiazol-2-yl]-2,2-dimethylmorpholine?
The canonical SMILES for 4-[4-(chloromethyl)-1,3-thiazol-2-yl]-2,2-dimethylmorpholine is CC1(C)CN(c2nc(CCl)cs2)CCO1.
What is the InChIKey of 4-[4-(chloromethyl)-1,3-thiazol-2-yl]-2,2-dimethylmorpholine?
The InChIKey is CUNWUIOQXTVEBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2OS/c1-10(2)7-13(3-4-14-10)9-12-8(5-11)6-15-9/h6H,3-5,7H2,1-2H3.
What are the key properties of 4-[4-(chloromethyl)-1,3-thiazol-2-yl]-2,2-dimethylmorpholine?
4-[4-(chloromethyl)-1,3-thiazol-2-yl]-2,2-dimethylmorpholine has a molecular weight of 246.76 g/mol, XLogP of 2.50, 2 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]-2,2-dimethylmorpholine is sourced from PubChem (CID 43593146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).