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

C12H22N2OS — CID 114941217

IUPACN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-ethoxy-2-methylpropan-1-amine
SMILESCCOC(C)(C)CNCc1sc(C)nc1C
InChIInChI=1S/C12H22N2OS/c1-6-15-12(4,5)8-13-7-11-9(2)14-10(3)16-11/h13H,6-8H2,1-5H3
InChIKeyOYESDMJVPVAYFT-UHFFFAOYSA-N
MW242.39 g/mol
LogP2.66
Rot. Bonds6

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

N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-ethoxy-2-methylpropan-1-amine (PubChem CID 114941217) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-ethoxy-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-ethoxy-2-methylpropan-1-amine
PubChem CID114941217
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC NameN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-ethoxy-2-methylpropan-1-amine
SMILESCCOC(C)(C)CNCc1sc(C)nc1C
InChIInChI=1S/C12H22N2OS/c1-6-15-12(4,5)8-13-7-11-9(2)14-10(3)16-11/h13H,6-8H2,1-5H3
InChIKeyOYESDMJVPVAYFT-UHFFFAOYSA-N
XLogP2.66
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine
CID 103529298
3-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]-N,2,2-trimethylpropanamide
CID 103824241
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pentan-1-amine
CID 64539296
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(4-ethylcyclohexyl)methanamine
CID 64539534
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-ethoxy-2-methylpropan-1-amine
CID 114941325
2-butoxy-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 64539322
1-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 64539742
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2,2-dimethylpentan-3-amine
CID 115640538
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-methylbut-3-yn-2-amine
CID 64988262
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]hex-5-yn-1-amine
CID 115694220
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(4-methylcyclohexyl)methanamine
CID 64540574
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(4-methyl-1,3-thiazol-5-yl)methanamine
CID 64540582

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-ethoxy-2-methylpropan-1-amine?
The IUPAC name of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-ethoxy-2-methylpropan-1-amine (CID 114941217) is N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-ethoxy-2-methylpropan-1-amine.
What is the SMILES notation for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-ethoxy-2-methylpropan-1-amine?
The canonical SMILES for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-ethoxy-2-methylpropan-1-amine is CCOC(C)(C)CNCc1sc(C)nc1C.
What is the InChIKey of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-ethoxy-2-methylpropan-1-amine?
The InChIKey is OYESDMJVPVAYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-6-15-12(4,5)8-13-7-11-9(2)14-10(3)16-11/h13H,6-8H2,1-5H3.
What are the key properties of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-ethoxy-2-methylpropan-1-amine?
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-ethoxy-2-methylpropan-1-amine has a molecular weight of 242.39 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-ethoxy-2-methylpropan-1-amine is sourced from PubChem (CID 114941217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).