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

C13H24N2OS — CID 116730876

IUPAC2-[2-(1-ethoxy-2,2-dimethylpropyl)-4-methyl-1,3-thiazol-5-yl]ethanamine
SMILESCCOC(c1nc(C)c(CCN)s1)C(C)(C)C
InChIInChI=1S/C13H24N2OS/c1-6-16-11(13(3,4)5)12-15-9(2)10(17-12)7-8-14/h11H,6-8,14H2,1-5H3
InChIKeyLLBHKNQPGRGHRL-UHFFFAOYSA-N
MW256.41 g/mol
LogP3.08
Rot. Bonds5

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

2-[2-(1-ethoxy-2,2-dimethylpropyl)-4-methyl-1,3-thiazol-5-yl]ethanamine (PubChem CID 116730876) has the molecular formula C13H24N2OS and a molecular weight of 256.41 g/mol. Its IUPAC name is 2-[2-(1-ethoxy-2,2-dimethylpropyl)-4-methyl-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[2-(1-ethoxy-2,2-dimethylpropyl)-4-methyl-1,3-thiazol-5-yl]ethanamine
PubChem CID116730876
Molecular FormulaC13H24N2OS
Molecular Weight256.41 g/mol
Exact Mass256.16
IUPAC Name2-[2-(1-ethoxy-2,2-dimethylpropyl)-4-methyl-1,3-thiazol-5-yl]ethanamine
SMILESCCOC(c1nc(C)c(CCN)s1)C(C)(C)C
InChIInChI=1S/C13H24N2OS/c1-6-16-11(13(3,4)5)12-15-9(2)10(17-12)7-8-14/h11H,6-8,14H2,1-5H3
InChIKeyLLBHKNQPGRGHRL-UHFFFAOYSA-N
XLogP3.08
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.41
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(1-ethoxy-2,2-dimethylpropyl)-4-propyl-1,3-thiazol-5-yl]methanamine
CID 114361227
1-[2-(1-ethoxy-2,2-dimethylpropyl)-4-methyl-1,3-thiazol-5-yl]ethanol
CID 116728207
1-[2-(1-ethoxy-2,2-dimethylpropyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
CID 116727560
[2-(1-ethoxy-2-methylpropyl)-4-methyl-1,3-thiazol-5-yl]methanamine
CID 116730526
ethyl 5-acetyl-2-(1-ethoxy-2,2-dimethylpropyl)-1,3-thiazole-4-carboxylate
CID 107376490
2-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethanamine
CID 79002022
1-[4-cyclopropyl-2-(1-ethoxy-2,2-dimethylpropyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114366979
2-[2-(2,2-dimethylpropyl)-4-methyl-1,3-thiazol-5-yl]ethanamine
CID 79154268
4-(4-bromophenyl)-2-(1-ethoxy-2,2-dimethylpropyl)-5-methyl-1,3-thiazole
CID 116734479
N-[[2-(1-ethoxypropyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 116730586
ethyl 2-(1-ethoxy-2,2-dimethylpropyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate
CID 116705343
[2-(1-methoxy-2,2-dimethylpropyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
CID 114361610

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-ethoxy-2,2-dimethylpropyl)-4-methyl-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of 2-[2-(1-ethoxy-2,2-dimethylpropyl)-4-methyl-1,3-thiazol-5-yl]ethanamine (CID 116730876) is 2-[2-(1-ethoxy-2,2-dimethylpropyl)-4-methyl-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for 2-[2-(1-ethoxy-2,2-dimethylpropyl)-4-methyl-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for 2-[2-(1-ethoxy-2,2-dimethylpropyl)-4-methyl-1,3-thiazol-5-yl]ethanamine is CCOC(c1nc(C)c(CCN)s1)C(C)(C)C.
What is the InChIKey of 2-[2-(1-ethoxy-2,2-dimethylpropyl)-4-methyl-1,3-thiazol-5-yl]ethanamine?
The InChIKey is LLBHKNQPGRGHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2OS/c1-6-16-11(13(3,4)5)12-15-9(2)10(17-12)7-8-14/h11H,6-8,14H2,1-5H3.
What are the key properties of 2-[2-(1-ethoxy-2,2-dimethylpropyl)-4-methyl-1,3-thiazol-5-yl]ethanamine?
2-[2-(1-ethoxy-2,2-dimethylpropyl)-4-methyl-1,3-thiazol-5-yl]ethanamine has a molecular weight of 256.41 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-ethoxy-2,2-dimethylpropyl)-4-methyl-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 116730876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).