N-[[2-(1,4-dioxan-2-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine

C12H20N2O2S — CID 65352078

IUPACN-[[2-(1,4-dioxan-2-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cnc(C2COCCO2)s1
InChIInChI=1S/C12H20N2O2S/c1-9(2)5-13-6-10-7-14-12(17-10)11-8-15-3-4-16-11/h7,9,11,13H,3-6,8H2,1-2H3
InChIKeyXWRFHSLSUYTHCT-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.98
Rot. Bonds5

About N-[[2-(1,4-dioxan-2-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine

N-[[2-(1,4-dioxan-2-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine (PubChem CID 65352078) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is N-[[2-(1,4-dioxan-2-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-(1,4-dioxan-2-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
PubChem CID65352078
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC NameN-[[2-(1,4-dioxan-2-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cnc(C2COCCO2)s1
InChIInChI=1S/C12H20N2O2S/c1-9(2)5-13-6-10-7-14-12(17-10)11-8-15-3-4-16-11/h7,9,11,13H,3-6,8H2,1-2H3
InChIKeyXWRFHSLSUYTHCT-UHFFFAOYSA-N
XLogP1.98
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 ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(1,4-dioxan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 65352027
N-[(2-bromo-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine
CID 86691018
N-cyclopropyl-N-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine
CID 62752283
N-methyl-5-[(2-methylpropylamino)methyl]-N-(oxan-4-ylmethyl)-1,3-thiazol-2-amine
CID 63706852
N-[(2-butan-2-yl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine
CID 63717618
N-[[2-(4-ethoxyoxan-4-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 116777983
N-[[2-(4-methylmorpholin-2-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 79088240
N-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-2-ethylbutan-1-amine
CID 115698948
N-[[2-(1,4-dioxan-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 65351420
2-methyl-N-[[2-(4-propan-2-ylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 103503613
N-(cyclopropylmethyl)-N-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine
CID 55112302
N-[[2-(tert-butylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 65138412

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1,4-dioxan-2-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-(1,4-dioxan-2-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine (CID 65352078) is N-[[2-(1,4-dioxan-2-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-(1,4-dioxan-2-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-(1,4-dioxan-2-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1cnc(C2COCCO2)s1.
What is the InChIKey of N-[[2-(1,4-dioxan-2-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is XWRFHSLSUYTHCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-9(2)5-13-6-10-7-14-12(17-10)11-8-15-3-4-16-11/h7,9,11,13H,3-6,8H2,1-2H3.
What are the key properties of N-[[2-(1,4-dioxan-2-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine?
N-[[2-(1,4-dioxan-2-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 256.37 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1,4-dioxan-2-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 65352078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).