N-methyl-1-[2-(4-methyl-1,3-thiazol-2-yl)oxan-3-yl]methanamine

C11H18N2OS — CID 104772230

IUPACN-methyl-1-[2-(4-methyl-1,3-thiazol-2-yl)oxan-3-yl]methanamine
SMILESCNCC1CCCOC1c1nc(C)cs1
InChIInChI=1S/C11H18N2OS/c1-8-7-15-11(13-8)10-9(6-12-2)4-3-5-14-10/h7,9-10,12H,3-6H2,1-2H3
InChIKeyALVGSXPJEFHWSS-UHFFFAOYSA-N
MW226.34 g/mol
LogP2.14
Rot. Bonds3

About N-methyl-1-[2-(4-methyl-1,3-thiazol-2-yl)oxan-3-yl]methanamine

N-methyl-1-[2-(4-methyl-1,3-thiazol-2-yl)oxan-3-yl]methanamine (PubChem CID 104772230) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is N-methyl-1-[2-(4-methyl-1,3-thiazol-2-yl)oxan-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(4-methyl-1,3-thiazol-2-yl)oxan-3-yl]methanamine
PubChem CID104772230
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC NameN-methyl-1-[2-(4-methyl-1,3-thiazol-2-yl)oxan-3-yl]methanamine
SMILESCNCC1CCCOC1c1nc(C)cs1
InChIInChI=1S/C11H18N2OS/c1-8-7-15-11(13-8)10-9(6-12-2)4-3-5-14-10/h7,9-10,12H,3-6H2,1-2H3
InChIKeyALVGSXPJEFHWSS-UHFFFAOYSA-N
XLogP2.14
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(4-methyl-1,3-thiazol-2-yl)oxan-3-yl]methanamine?
The IUPAC name of N-methyl-1-[2-(4-methyl-1,3-thiazol-2-yl)oxan-3-yl]methanamine (CID 104772230) is N-methyl-1-[2-(4-methyl-1,3-thiazol-2-yl)oxan-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[2-(4-methyl-1,3-thiazol-2-yl)oxan-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[2-(4-methyl-1,3-thiazol-2-yl)oxan-3-yl]methanamine is CNCC1CCCOC1c1nc(C)cs1.
What is the InChIKey of N-methyl-1-[2-(4-methyl-1,3-thiazol-2-yl)oxan-3-yl]methanamine?
The InChIKey is ALVGSXPJEFHWSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-8-7-15-11(13-8)10-9(6-12-2)4-3-5-14-10/h7,9-10,12H,3-6H2,1-2H3.
What are the key properties of N-methyl-1-[2-(4-methyl-1,3-thiazol-2-yl)oxan-3-yl]methanamine?
N-methyl-1-[2-(4-methyl-1,3-thiazol-2-yl)oxan-3-yl]methanamine has a molecular weight of 226.34 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(4-methyl-1,3-thiazol-2-yl)oxan-3-yl]methanamine is sourced from PubChem (CID 104772230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).