6-(chloromethyl)-2,2-dimethyl-4-[(4-methyl-1,3-thiazol-2-yl)methyl]morpholine

C12H19ClN2OS — CID 114780491

IUPAC6-(chloromethyl)-2,2-dimethyl-4-[(4-methyl-1,3-thiazol-2-yl)methyl]morpholine
SMILESCc1csc(CN2CC(CCl)OC(C)(C)C2)n1
InChIInChI=1S/C12H19ClN2OS/c1-9-7-17-11(14-9)6-15-5-10(4-13)16-12(2,3)8-15/h7,10H,4-6,8H2,1-3H3
InChIKeySEWPSXPKSCFNGM-UHFFFAOYSA-N
MW274.82 g/mol
LogP2.67
Rot. Bonds3

About 6-(chloromethyl)-2,2-dimethyl-4-[(4-methyl-1,3-thiazol-2-yl)methyl]morpholine

6-(chloromethyl)-2,2-dimethyl-4-[(4-methyl-1,3-thiazol-2-yl)methyl]morpholine (PubChem CID 114780491) has the molecular formula C12H19ClN2OS and a molecular weight of 274.82 g/mol. Its IUPAC name is 6-(chloromethyl)-2,2-dimethyl-4-[(4-methyl-1,3-thiazol-2-yl)methyl]morpholine.

Molecular Properties

Compound Name6-(chloromethyl)-2,2-dimethyl-4-[(4-methyl-1,3-thiazol-2-yl)methyl]morpholine
PubChem CID114780491
Molecular FormulaC12H19ClN2OS
Molecular Weight274.82 g/mol
Exact Mass274.09
IUPAC Name6-(chloromethyl)-2,2-dimethyl-4-[(4-methyl-1,3-thiazol-2-yl)methyl]morpholine
SMILESCc1csc(CN2CC(CCl)OC(C)(C)C2)n1
InChIInChI=1S/C12H19ClN2OS/c1-9-7-17-11(14-9)6-15-5-10(4-13)16-12(2,3)8-15/h7,10H,4-6,8H2,1-3H3
InChIKeySEWPSXPKSCFNGM-UHFFFAOYSA-N
XLogP2.67
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.82
LogP ≤ 52.67
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 6-(chloromethyl)-2,2-dimethyl-4-[(4-methyl-1,3-thiazol-2-yl)methyl]morpholine?
The IUPAC name of 6-(chloromethyl)-2,2-dimethyl-4-[(4-methyl-1,3-thiazol-2-yl)methyl]morpholine (CID 114780491) is 6-(chloromethyl)-2,2-dimethyl-4-[(4-methyl-1,3-thiazol-2-yl)methyl]morpholine.
What is the SMILES notation for 6-(chloromethyl)-2,2-dimethyl-4-[(4-methyl-1,3-thiazol-2-yl)methyl]morpholine?
The canonical SMILES for 6-(chloromethyl)-2,2-dimethyl-4-[(4-methyl-1,3-thiazol-2-yl)methyl]morpholine is Cc1csc(CN2CC(CCl)OC(C)(C)C2)n1.
What is the InChIKey of 6-(chloromethyl)-2,2-dimethyl-4-[(4-methyl-1,3-thiazol-2-yl)methyl]morpholine?
The InChIKey is SEWPSXPKSCFNGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2OS/c1-9-7-17-11(14-9)6-15-5-10(4-13)16-12(2,3)8-15/h7,10H,4-6,8H2,1-3H3.
What are the key properties of 6-(chloromethyl)-2,2-dimethyl-4-[(4-methyl-1,3-thiazol-2-yl)methyl]morpholine?
6-(chloromethyl)-2,2-dimethyl-4-[(4-methyl-1,3-thiazol-2-yl)methyl]morpholine has a molecular weight of 274.82 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(chloromethyl)-2,2-dimethyl-4-[(4-methyl-1,3-thiazol-2-yl)methyl]morpholine is sourced from PubChem (CID 114780491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).