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

C10H16N2OS — CID 130625427

IUPACN-methyl-1-(oxan-4-yl)-1-(1,2-thiazol-3-yl)methanamine
SMILESCNC(c1ccsn1)C1CCOCC1
InChIInChI=1S/C10H16N2OS/c1-11-10(9-4-7-14-12-9)8-2-5-13-6-3-8/h4,7-8,10-11H,2-3,5-6H2,1H3
InChIKeyJTSJFUPHNVLBAR-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.83
Rot. Bonds3

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

N-methyl-1-(oxan-4-yl)-1-(1,2-thiazol-3-yl)methanamine (PubChem CID 130625427) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is N-methyl-1-(oxan-4-yl)-1-(1,2-thiazol-3-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(oxan-4-yl)-1-(1,2-thiazol-3-yl)methanamine
PubChem CID130625427
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC NameN-methyl-1-(oxan-4-yl)-1-(1,2-thiazol-3-yl)methanamine
SMILESCNC(c1ccsn1)C1CCOCC1
InChIInChI=1S/C10H16N2OS/c1-11-10(9-4-7-14-12-9)8-2-5-13-6-3-8/h4,7-8,10-11H,2-3,5-6H2,1H3
InChIKeyJTSJFUPHNVLBAR-UHFFFAOYSA-N
XLogP1.83
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[Oxolan-3-yl(1,2-thiazol-3-yl)methyl]hydrazine
CID 130604763
(3-Methyloxan-4-yl)-(1,2-thiazol-3-yl)methanamine
CID 130604775
N-methyl-1-(oxan-2-yl)-1-(1,2-thiazol-3-yl)methanamine
CID 130642110
2-(Oxolan-3-yl)-1-(1,2-thiazol-3-yl)ethanamine
CID 130649338
Oxolan-3-yl(1,2-thiazol-3-yl)methanamine
CID 130664721
3-(4-Ethylpiperidin-2-yl)-1,2-thiazole
CID 130713635
(2-Ethyloxolan-3-yl)-(1,2-thiazol-3-yl)methanamine
CID 130840669
[Oxan-3-yl(1,2-thiazol-3-yl)methyl]hydrazine
CID 130848693
N-methyl-1-(2-methyloxolan-3-yl)-1-(1,2-thiazol-3-yl)methanamine
CID 130875435
(2-Methyloxolan-3-yl)-(1,2-thiazol-3-yl)methanamine
CID 131182016
(3-Methyl-1,2-thiazol-5-yl)-(oxan-3-yl)methanamine
CID 131183022
3-[[1-(1,2-Thiazol-3-yl)ethylamino]methyl]pentan-1-ol
CID 137929713

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(oxan-4-yl)-1-(1,2-thiazol-3-yl)methanamine?
The IUPAC name of N-methyl-1-(oxan-4-yl)-1-(1,2-thiazol-3-yl)methanamine (CID 130625427) is N-methyl-1-(oxan-4-yl)-1-(1,2-thiazol-3-yl)methanamine.
What is the SMILES notation for N-methyl-1-(oxan-4-yl)-1-(1,2-thiazol-3-yl)methanamine?
The canonical SMILES for N-methyl-1-(oxan-4-yl)-1-(1,2-thiazol-3-yl)methanamine is CNC(c1ccsn1)C1CCOCC1.
What is the InChIKey of N-methyl-1-(oxan-4-yl)-1-(1,2-thiazol-3-yl)methanamine?
The InChIKey is JTSJFUPHNVLBAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-11-10(9-4-7-14-12-9)8-2-5-13-6-3-8/h4,7-8,10-11H,2-3,5-6H2,1H3.
What are the key properties of N-methyl-1-(oxan-4-yl)-1-(1,2-thiazol-3-yl)methanamine?
N-methyl-1-(oxan-4-yl)-1-(1,2-thiazol-3-yl)methanamine has a molecular weight of 212.32 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(oxan-4-yl)-1-(1,2-thiazol-3-yl)methanamine is sourced from PubChem (CID 130625427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).