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

C12H21N3OS — CID 55073751

IUPACN-methyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]oxan-4-amine
SMILESCNCc1nc(CN(C)C2CCOCC2)cs1
InChIInChI=1S/C12H21N3OS/c1-13-7-12-14-10(9-17-12)8-15(2)11-3-5-16-6-4-11/h9,11,13H,3-8H2,1-2H3
InChIKeyMIKSLYQTHLRSSP-UHFFFAOYSA-N
MW255.39 g/mol
LogP1.47
Rot. Bonds5

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

N-methyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]oxan-4-amine (PubChem CID 55073751) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is N-methyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]oxan-4-amine.

Molecular Properties

Compound NameN-methyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]oxan-4-amine
PubChem CID55073751
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC NameN-methyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]oxan-4-amine
SMILESCNCc1nc(CN(C)C2CCOCC2)cs1
InChIInChI=1S/C12H21N3OS/c1-13-7-12-14-10(9-17-12)8-15(2)11-3-5-16-6-4-11/h9,11,13H,3-8H2,1-2H3
InChIKeyMIKSLYQTHLRSSP-UHFFFAOYSA-N
XLogP1.47
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]oxan-4-amine?
The IUPAC name of N-methyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]oxan-4-amine (CID 55073751) is N-methyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]oxan-4-amine.
What is the SMILES notation for N-methyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]oxan-4-amine?
The canonical SMILES for N-methyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]oxan-4-amine is CNCc1nc(CN(C)C2CCOCC2)cs1.
What is the InChIKey of N-methyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]oxan-4-amine?
The InChIKey is MIKSLYQTHLRSSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-13-7-12-14-10(9-17-12)8-15(2)11-3-5-16-6-4-11/h9,11,13H,3-8H2,1-2H3.
What are the key properties of N-methyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]oxan-4-amine?
N-methyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]oxan-4-amine has a molecular weight of 255.39 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]oxan-4-amine is sourced from PubChem (CID 55073751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).