1-[4-(methoxymethyl)-2-(oxan-4-yl)-1,3-thiazol-5-yl]-N-methylmethanamine

C12H20N2O2S — CID 114366077

IUPAC1-[4-(methoxymethyl)-2-(oxan-4-yl)-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCNCc1sc(C2CCOCC2)nc1COC
InChIInChI=1S/C12H20N2O2S/c1-13-7-11-10(8-15-2)14-12(17-11)9-3-5-16-6-4-9/h9,13H,3-8H2,1-2H3
InChIKeyKLFZFCJREIMJBB-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.90
Rot. Bonds5

About 1-[4-(methoxymethyl)-2-(oxan-4-yl)-1,3-thiazol-5-yl]-N-methylmethanamine

1-[4-(methoxymethyl)-2-(oxan-4-yl)-1,3-thiazol-5-yl]-N-methylmethanamine (PubChem CID 114366077) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is 1-[4-(methoxymethyl)-2-(oxan-4-yl)-1,3-thiazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(methoxymethyl)-2-(oxan-4-yl)-1,3-thiazol-5-yl]-N-methylmethanamine
PubChem CID114366077
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Name1-[4-(methoxymethyl)-2-(oxan-4-yl)-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCNCc1sc(C2CCOCC2)nc1COC
InChIInChI=1S/C12H20N2O2S/c1-13-7-11-10(8-15-2)14-12(17-11)9-3-5-16-6-4-9/h9,13H,3-8H2,1-2H3
InChIKeyKLFZFCJREIMJBB-UHFFFAOYSA-N
XLogP1.90
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(methoxymethyl)-2-(oxan-4-yl)-1,3-thiazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[4-(methoxymethyl)-2-(oxan-4-yl)-1,3-thiazol-5-yl]-N-methylmethanamine (CID 114366077) is 1-[4-(methoxymethyl)-2-(oxan-4-yl)-1,3-thiazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(methoxymethyl)-2-(oxan-4-yl)-1,3-thiazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(methoxymethyl)-2-(oxan-4-yl)-1,3-thiazol-5-yl]-N-methylmethanamine is CNCc1sc(C2CCOCC2)nc1COC.
What is the InChIKey of 1-[4-(methoxymethyl)-2-(oxan-4-yl)-1,3-thiazol-5-yl]-N-methylmethanamine?
The InChIKey is KLFZFCJREIMJBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-13-7-11-10(8-15-2)14-12(17-11)9-3-5-16-6-4-9/h9,13H,3-8H2,1-2H3.
What are the key properties of 1-[4-(methoxymethyl)-2-(oxan-4-yl)-1,3-thiazol-5-yl]-N-methylmethanamine?
1-[4-(methoxymethyl)-2-(oxan-4-yl)-1,3-thiazol-5-yl]-N-methylmethanamine has a molecular weight of 256.37 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methoxymethyl)-2-(oxan-4-yl)-1,3-thiazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 114366077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).