2-[2-(2-ethoxypropan-2-yl)-1,3-thiazol-4-yl]-2-methylpropan-1-amine

C12H22N2OS — CID 102929394

IUPAC2-[2-(2-ethoxypropan-2-yl)-1,3-thiazol-4-yl]-2-methylpropan-1-amine
SMILESCCOC(C)(C)c1nc(C(C)(C)CN)cs1
InChIInChI=1S/C12H22N2OS/c1-6-15-12(4,5)10-14-9(7-16-10)11(2,3)8-13/h7H,6,8,13H2,1-5H3
InChIKeyLFDVSEWMVRJMCG-UHFFFAOYSA-N
MW242.39 g/mol
LogP2.65
Rot. Bonds5

About 2-[2-(2-ethoxypropan-2-yl)-1,3-thiazol-4-yl]-2-methylpropan-1-amine

2-[2-(2-ethoxypropan-2-yl)-1,3-thiazol-4-yl]-2-methylpropan-1-amine (PubChem CID 102929394) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is 2-[2-(2-ethoxypropan-2-yl)-1,3-thiazol-4-yl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-[2-(2-ethoxypropan-2-yl)-1,3-thiazol-4-yl]-2-methylpropan-1-amine
PubChem CID102929394
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC Name2-[2-(2-ethoxypropan-2-yl)-1,3-thiazol-4-yl]-2-methylpropan-1-amine
SMILESCCOC(C)(C)c1nc(C(C)(C)CN)cs1
InChIInChI=1S/C12H22N2OS/c1-6-15-12(4,5)10-14-9(7-16-10)11(2,3)8-13/h7H,6,8,13H2,1-5H3
InChIKeyLFDVSEWMVRJMCG-UHFFFAOYSA-N
XLogP2.65
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(2-ethoxypropan-2-yl)-1,3-thiazol-4-yl]propan-1-amine
CID 102929390
2-(2-ethoxypropan-2-yl)-4-propan-2-yl-1,3-thiazole
CID 116734587
4-(chloromethyl)-2-(2-ethoxypropan-2-yl)-1,3-thiazole
CID 116705109
1-[2-(2-ethoxypropan-2-yl)-1,3-thiazol-4-yl]propan-2-amine
CID 102929371
ethyl 3-[2-(2-ethoxypropan-2-yl)-1,3-thiazol-4-yl]propanoate
CID 103485371
1-[2-(2-ethoxypropan-2-yl)-1,3-thiazol-4-yl]-N-methylethanamine
CID 116727806
4-(2-bromophenyl)-2-(2-ethoxypropan-2-yl)-1,3-thiazole
CID 116734452
2-[2-(2-ethoxybutan-2-yl)-1,3-thiazol-4-yl]ethanamine
CID 116779537
[2-(1-amino-2-methylpropan-2-yl)-1,3-thiazol-4-yl]methanol
CID 82504324
2-(2,3-dimethylbutan-2-yl)-4-(2-methylbutan-2-yl)-1,3-thiazole
CID 155042066
[2-(3-ethoxypentan-3-yl)-1,3-thiazol-4-yl]methanol
CID 116782415
2-(4-tert-butyl-1,3-thiazol-2-yl)-N-methylbutan-2-amine
CID 61332933

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-ethoxypropan-2-yl)-1,3-thiazol-4-yl]-2-methylpropan-1-amine?
The IUPAC name of 2-[2-(2-ethoxypropan-2-yl)-1,3-thiazol-4-yl]-2-methylpropan-1-amine (CID 102929394) is 2-[2-(2-ethoxypropan-2-yl)-1,3-thiazol-4-yl]-2-methylpropan-1-amine.
What is the SMILES notation for 2-[2-(2-ethoxypropan-2-yl)-1,3-thiazol-4-yl]-2-methylpropan-1-amine?
The canonical SMILES for 2-[2-(2-ethoxypropan-2-yl)-1,3-thiazol-4-yl]-2-methylpropan-1-amine is CCOC(C)(C)c1nc(C(C)(C)CN)cs1.
What is the InChIKey of 2-[2-(2-ethoxypropan-2-yl)-1,3-thiazol-4-yl]-2-methylpropan-1-amine?
The InChIKey is LFDVSEWMVRJMCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-6-15-12(4,5)10-14-9(7-16-10)11(2,3)8-13/h7H,6,8,13H2,1-5H3.
What are the key properties of 2-[2-(2-ethoxypropan-2-yl)-1,3-thiazol-4-yl]-2-methylpropan-1-amine?
2-[2-(2-ethoxypropan-2-yl)-1,3-thiazol-4-yl]-2-methylpropan-1-amine has a molecular weight of 242.39 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-ethoxypropan-2-yl)-1,3-thiazol-4-yl]-2-methylpropan-1-amine is sourced from PubChem (CID 102929394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).