1-[2-(2-ethoxypropan-2-yl)-1,3-thiazol-4-yl]-N-methylethanamine

C11H20N2OS — CID 116727806

IUPAC1-[2-(2-ethoxypropan-2-yl)-1,3-thiazol-4-yl]-N-methylethanamine
SMILESCCOC(C)(C)c1nc(C(C)NC)cs1
InChIInChI=1S/C11H20N2OS/c1-6-14-11(3,4)10-13-9(7-15-10)8(2)12-5/h7-8,12H,6H2,1-5H3
InChIKeyHAQSJFQOVHHXQA-UHFFFAOYSA-N
MW228.36 g/mol
LogP2.70
Rot. Bonds5

About 1-[2-(2-ethoxypropan-2-yl)-1,3-thiazol-4-yl]-N-methylethanamine

1-[2-(2-ethoxypropan-2-yl)-1,3-thiazol-4-yl]-N-methylethanamine (PubChem CID 116727806) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is 1-[2-(2-ethoxypropan-2-yl)-1,3-thiazol-4-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[2-(2-ethoxypropan-2-yl)-1,3-thiazol-4-yl]-N-methylethanamine
PubChem CID116727806
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC Name1-[2-(2-ethoxypropan-2-yl)-1,3-thiazol-4-yl]-N-methylethanamine
SMILESCCOC(C)(C)c1nc(C(C)NC)cs1
InChIInChI=1S/C11H20N2OS/c1-6-14-11(3,4)10-13-9(7-15-10)8(2)12-5/h7-8,12H,6H2,1-5H3
InChIKeyHAQSJFQOVHHXQA-UHFFFAOYSA-N
XLogP2.70
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-ethoxypropan-2-yl)-4-propan-2-yl-1,3-thiazole
CID 116734587
2-[2-(2-ethoxypropan-2-yl)-1,3-thiazol-4-yl]propan-1-amine
CID 102929390
1-[2-(2-ethoxypropan-2-yl)-1,3-thiazol-4-yl]propan-2-amine
CID 102929371
4-(chloromethyl)-2-(2-ethoxypropan-2-yl)-1,3-thiazole
CID 116705109
1-[2-(2-ethoxypropan-2-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
CID 116727561
1-[2-(1-ethoxypropyl)-1,3-thiazol-4-yl]-N-methylethanamine
CID 116727809
2-[2-(2-ethoxypropan-2-yl)-1,3-thiazol-4-yl]-2-methylpropan-1-amine
CID 102929394
4-[1-(methylamino)ethyl]-1,3-thiazol-2-amine
CID 64543676
2-[2-(2-ethoxybutan-2-yl)-1,3-thiazol-4-yl]-3-methylbutan-1-amine
CID 102929481
2,2-dimethyl-N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]propanamide
CID 64556868
N,3-dimethyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)pentan-2-amine
CID 61331351
4-(2-bromophenyl)-2-(2-ethoxypropan-2-yl)-1,3-thiazole
CID 116734452

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-ethoxypropan-2-yl)-1,3-thiazol-4-yl]-N-methylethanamine?
The IUPAC name of 1-[2-(2-ethoxypropan-2-yl)-1,3-thiazol-4-yl]-N-methylethanamine (CID 116727806) is 1-[2-(2-ethoxypropan-2-yl)-1,3-thiazol-4-yl]-N-methylethanamine.
What is the SMILES notation for 1-[2-(2-ethoxypropan-2-yl)-1,3-thiazol-4-yl]-N-methylethanamine?
The canonical SMILES for 1-[2-(2-ethoxypropan-2-yl)-1,3-thiazol-4-yl]-N-methylethanamine is CCOC(C)(C)c1nc(C(C)NC)cs1.
What is the InChIKey of 1-[2-(2-ethoxypropan-2-yl)-1,3-thiazol-4-yl]-N-methylethanamine?
The InChIKey is HAQSJFQOVHHXQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2OS/c1-6-14-11(3,4)10-13-9(7-15-10)8(2)12-5/h7-8,12H,6H2,1-5H3.
What are the key properties of 1-[2-(2-ethoxypropan-2-yl)-1,3-thiazol-4-yl]-N-methylethanamine?
1-[2-(2-ethoxypropan-2-yl)-1,3-thiazol-4-yl]-N-methylethanamine has a molecular weight of 228.36 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-ethoxypropan-2-yl)-1,3-thiazol-4-yl]-N-methylethanamine is sourced from PubChem (CID 116727806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).