1-[2-(4-methoxyoxan-4-yl)-1,3-thiazol-4-yl]-N-methylethanamine

C12H20N2O2S — CID 116774588

IUPAC1-[2-(4-methoxyoxan-4-yl)-1,3-thiazol-4-yl]-N-methylethanamine
SMILESCNC(C)c1csc(C2(OC)CCOCC2)n1
InChIInChI=1S/C12H20N2O2S/c1-9(13-2)10-8-17-11(14-10)12(15-3)4-6-16-7-5-12/h8-9,13H,4-7H2,1-3H3
InChIKeyLSBYRVJNWRBWHC-UHFFFAOYSA-N
MW256.37 g/mol
LogP2.08
Rot. Bonds4

About 1-[2-(4-methoxyoxan-4-yl)-1,3-thiazol-4-yl]-N-methylethanamine

1-[2-(4-methoxyoxan-4-yl)-1,3-thiazol-4-yl]-N-methylethanamine (PubChem CID 116774588) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is 1-[2-(4-methoxyoxan-4-yl)-1,3-thiazol-4-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[2-(4-methoxyoxan-4-yl)-1,3-thiazol-4-yl]-N-methylethanamine
PubChem CID116774588
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Name1-[2-(4-methoxyoxan-4-yl)-1,3-thiazol-4-yl]-N-methylethanamine
SMILESCNC(C)c1csc(C2(OC)CCOCC2)n1
InChIInChI=1S/C12H20N2O2S/c1-9(13-2)10-8-17-11(14-10)12(15-3)4-6-16-7-5-12/h8-9,13H,4-7H2,1-3H3
InChIKeyLSBYRVJNWRBWHC-UHFFFAOYSA-N
XLogP2.08
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyoxan-4-yl)-1,3-thiazol-4-yl]-N-methylethanamine?
The IUPAC name of 1-[2-(4-methoxyoxan-4-yl)-1,3-thiazol-4-yl]-N-methylethanamine (CID 116774588) is 1-[2-(4-methoxyoxan-4-yl)-1,3-thiazol-4-yl]-N-methylethanamine.
What is the SMILES notation for 1-[2-(4-methoxyoxan-4-yl)-1,3-thiazol-4-yl]-N-methylethanamine?
The canonical SMILES for 1-[2-(4-methoxyoxan-4-yl)-1,3-thiazol-4-yl]-N-methylethanamine is CNC(C)c1csc(C2(OC)CCOCC2)n1.
What is the InChIKey of 1-[2-(4-methoxyoxan-4-yl)-1,3-thiazol-4-yl]-N-methylethanamine?
The InChIKey is LSBYRVJNWRBWHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-9(13-2)10-8-17-11(14-10)12(15-3)4-6-16-7-5-12/h8-9,13H,4-7H2,1-3H3.
What are the key properties of 1-[2-(4-methoxyoxan-4-yl)-1,3-thiazol-4-yl]-N-methylethanamine?
1-[2-(4-methoxyoxan-4-yl)-1,3-thiazol-4-yl]-N-methylethanamine has a molecular weight of 256.37 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyoxan-4-yl)-1,3-thiazol-4-yl]-N-methylethanamine is sourced from PubChem (CID 116774588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).