N-[[2-(1-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-ethyl-1-methoxypropan-2-amine

C12H23N3OS — CID 66390563

IUPACN-[[2-(1-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-ethyl-1-methoxypropan-2-amine
SMILESCCN(Cc1csc(C(C)N)n1)C(C)COC
InChIInChI=1S/C12H23N3OS/c1-5-15(9(2)7-16-4)6-11-8-17-12(14-11)10(3)13/h8-10H,5-7,13H2,1-4H3
InChIKeyOZILYAALCVXTTM-UHFFFAOYSA-N
MW257.40 g/mol
LogP2.02
Rot. Bonds7

About N-[[2-(1-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-ethyl-1-methoxypropan-2-amine

N-[[2-(1-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-ethyl-1-methoxypropan-2-amine (PubChem CID 66390563) has the molecular formula C12H23N3OS and a molecular weight of 257.40 g/mol. Its IUPAC name is N-[[2-(1-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-ethyl-1-methoxypropan-2-amine.

Molecular Properties

Compound NameN-[[2-(1-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-ethyl-1-methoxypropan-2-amine
PubChem CID66390563
Molecular FormulaC12H23N3OS
Molecular Weight257.40 g/mol
Exact Mass257.16
IUPAC NameN-[[2-(1-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-ethyl-1-methoxypropan-2-amine
SMILESCCN(Cc1csc(C(C)N)n1)C(C)COC
InChIInChI=1S/C12H23N3OS/c1-5-15(9(2)7-16-4)6-11-8-17-12(14-11)10(3)13/h8-10H,5-7,13H2,1-4H3
InChIKeyOZILYAALCVXTTM-UHFFFAOYSA-N
XLogP2.02
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(1-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-(2-methoxyethyl)butan-2-amine
CID 66390190
N-[[2-(1-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-(2-methoxyethyl)pentan-3-amine
CID 66390376
N-[[4-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine
CID 62426511
(1R)-1-(4-ethyl-1,3-thiazol-2-yl)ethanamine
CID 42077975
N-[[2-(1-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-ethyl-2-methylpropan-1-amine
CID 66388632
N-[[2-(1-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-ethyl-2-fluoroaniline
CID 66388652
N-[[2-(1-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-1-methylsulfanylbutan-2-amine
CID 112661039
4-ethyl-2-(1-methoxyethyl)-1,3-thiazole
CID 115680000
N-[(6-chloropyridazin-3-yl)methyl]-N-ethyl-1-methoxypropan-2-amine
CID 104513659
1-methoxy-3-[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]propan-2-ol
CID 62016549
1-[4-(2-aminoethyl)-1,3-thiazol-2-yl]-N,N-diethylethanamine
CID 112501302
1-methoxy-N-methyl-N-[[2-[(propan-2-ylamino)methyl]-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 55074026

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-ethyl-1-methoxypropan-2-amine?
The IUPAC name of N-[[2-(1-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-ethyl-1-methoxypropan-2-amine (CID 66390563) is N-[[2-(1-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-ethyl-1-methoxypropan-2-amine.
What is the SMILES notation for N-[[2-(1-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-ethyl-1-methoxypropan-2-amine?
The canonical SMILES for N-[[2-(1-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-ethyl-1-methoxypropan-2-amine is CCN(Cc1csc(C(C)N)n1)C(C)COC.
What is the InChIKey of N-[[2-(1-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-ethyl-1-methoxypropan-2-amine?
The InChIKey is OZILYAALCVXTTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3OS/c1-5-15(9(2)7-16-4)6-11-8-17-12(14-11)10(3)13/h8-10H,5-7,13H2,1-4H3.
What are the key properties of N-[[2-(1-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-ethyl-1-methoxypropan-2-amine?
N-[[2-(1-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-ethyl-1-methoxypropan-2-amine has a molecular weight of 257.40 g/mol, XLogP of 2.02, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-ethyl-1-methoxypropan-2-amine is sourced from PubChem (CID 66390563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).