1-[2-(1-ethoxy-2,2-dimethylpropyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine

C14H26N2OS — CID 116727560

IUPAC1-[2-(1-ethoxy-2,2-dimethylpropyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
SMILESCCOC(c1nc(C)c(C(C)NC)s1)C(C)(C)C
InChIInChI=1S/C14H26N2OS/c1-8-17-12(14(4,5)6)13-16-10(3)11(18-13)9(2)15-7/h9,12,15H,8H2,1-7H3
InChIKeyQQWKHEZYXKTKIL-UHFFFAOYSA-N
MW270.44 g/mol
LogP3.86
Rot. Bonds5

About 1-[2-(1-ethoxy-2,2-dimethylpropyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine

1-[2-(1-ethoxy-2,2-dimethylpropyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine (PubChem CID 116727560) has the molecular formula C14H26N2OS and a molecular weight of 270.44 g/mol. Its IUPAC name is 1-[2-(1-ethoxy-2,2-dimethylpropyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[2-(1-ethoxy-2,2-dimethylpropyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
PubChem CID116727560
Molecular FormulaC14H26N2OS
Molecular Weight270.44 g/mol
Exact Mass270.18
IUPAC Name1-[2-(1-ethoxy-2,2-dimethylpropyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
SMILESCCOC(c1nc(C)c(C(C)NC)s1)C(C)(C)C
InChIInChI=1S/C14H26N2OS/c1-8-17-12(14(4,5)6)13-16-10(3)11(18-13)9(2)15-7/h9,12,15H,8H2,1-7H3
InChIKeyQQWKHEZYXKTKIL-UHFFFAOYSA-N
XLogP3.86
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-(1-ethoxy-2,2-dimethylpropyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(1-ethoxy-2,2-dimethylpropyl)-4-methyl-1,3-thiazol-5-yl]ethanol
CID 116728207
1-[2-(2-ethoxypropan-2-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
CID 116727561
2-[2-(1-ethoxy-2,2-dimethylpropyl)-4-methyl-1,3-thiazol-5-yl]ethanamine
CID 116730876
1-[5-(difluoromethyl)-4-methyl-1,3-thiazol-2-yl]-N-methylethanamine
CID 84779098
4-(4-bromophenyl)-2-(1-ethoxy-2,2-dimethylpropyl)-5-methyl-1,3-thiazole
CID 116734479
1-[4-cyclopropyl-2-(1-ethoxy-2,2-dimethylpropyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114366979
1-[2-[ethoxy(phenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-N-ethylethanamine
CID 116774268
N-[1-[2-(1-ethoxy-2,2-dimethylpropyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine
CID 116727826
1-[2-(1-ethoxy-4-methylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
CID 116774239
ethyl 5-acetyl-2-(1-ethoxy-2,2-dimethylpropyl)-1,3-thiazole-4-carboxylate
CID 107376490
[2-(1-ethoxy-2,2-dimethylpropyl)-4-propyl-1,3-thiazol-5-yl]methanamine
CID 114361227
N,4-dimethyl-5-[1-(methylamino)ethyl]-N-pentan-3-yl-1,3-thiazol-2-amine
CID 62751969

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-ethoxy-2,2-dimethylpropyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine?
The IUPAC name of 1-[2-(1-ethoxy-2,2-dimethylpropyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine (CID 116727560) is 1-[2-(1-ethoxy-2,2-dimethylpropyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine.
What is the SMILES notation for 1-[2-(1-ethoxy-2,2-dimethylpropyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine?
The canonical SMILES for 1-[2-(1-ethoxy-2,2-dimethylpropyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine is CCOC(c1nc(C)c(C(C)NC)s1)C(C)(C)C.
What is the InChIKey of 1-[2-(1-ethoxy-2,2-dimethylpropyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine?
The InChIKey is QQWKHEZYXKTKIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2OS/c1-8-17-12(14(4,5)6)13-16-10(3)11(18-13)9(2)15-7/h9,12,15H,8H2,1-7H3.
What are the key properties of 1-[2-(1-ethoxy-2,2-dimethylpropyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine?
1-[2-(1-ethoxy-2,2-dimethylpropyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine has a molecular weight of 270.44 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-ethoxy-2,2-dimethylpropyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine is sourced from PubChem (CID 116727560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).