2-[2-(2-ethoxybutan-2-yl)-1,3-thiazol-4-yl]ethanamine

C11H20N2OS — CID 116779537

IUPAC2-[2-(2-ethoxybutan-2-yl)-1,3-thiazol-4-yl]ethanamine
SMILESCCOC(C)(CC)c1nc(CCN)cs1
InChIInChI=1S/C11H20N2OS/c1-4-11(3,14-5-2)10-13-9(6-7-12)8-15-10/h8H,4-7,12H2,1-3H3
InChIKeyLCMDUAHKRUSBQQ-UHFFFAOYSA-N
MW228.36 g/mol
LogP2.31
Rot. Bonds6

About 2-[2-(2-ethoxybutan-2-yl)-1,3-thiazol-4-yl]ethanamine

2-[2-(2-ethoxybutan-2-yl)-1,3-thiazol-4-yl]ethanamine (PubChem CID 116779537) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is 2-[2-(2-ethoxybutan-2-yl)-1,3-thiazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[2-(2-ethoxybutan-2-yl)-1,3-thiazol-4-yl]ethanamine
PubChem CID116779537
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC Name2-[2-(2-ethoxybutan-2-yl)-1,3-thiazol-4-yl]ethanamine
SMILESCCOC(C)(CC)c1nc(CCN)cs1
InChIInChI=1S/C11H20N2OS/c1-4-11(3,14-5-2)10-13-9(6-7-12)8-15-10/h8H,4-7,12H2,1-3H3
InChIKeyLCMDUAHKRUSBQQ-UHFFFAOYSA-N
XLogP2.31
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2-ethoxybutan-2-yl)-1,3-thiazol-4-yl]pentan-2-amine
CID 102929467
N-[[2-(2-ethoxybutan-2-yl)-1,3-thiazol-4-yl]methyl]-4-methylaniline
CID 102929482
2-[2-(2-ethoxybutan-2-yl)-1,3-thiazol-4-yl]-3-methylbutan-1-amine
CID 102929481
1-[2-(2-ethoxybutan-2-yl)-1,3-thiazol-4-yl]ethanone
CID 116774202
[2-(3-ethoxypentan-3-yl)-1,3-thiazol-4-yl]methanol
CID 116782415
N-[2-[2-(3-ethoxypentan-3-yl)-1,3-thiazol-4-yl]ethyl]cyclopropanamine
CID 102929515
ethyl 3-[2-(2-ethoxypropan-2-yl)-1,3-thiazol-4-yl]propanoate
CID 103485371
4-(chloromethyl)-2-(2-ethoxypropan-2-yl)-1,3-thiazole
CID 116705109
4-(2-tert-butyl-1,3-thiazol-4-yl)butan-2-amine
CID 116888399
2-[2-(3-ethoxypentan-3-yl)-1,3-thiazol-4-yl]acetic acid
CID 116744488
N-[[2-(3-ethoxypentan-3-yl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 116774720
5-[2-(2-ethoxybutan-2-yl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid
CID 116744515

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-ethoxybutan-2-yl)-1,3-thiazol-4-yl]ethanamine?
The IUPAC name of 2-[2-(2-ethoxybutan-2-yl)-1,3-thiazol-4-yl]ethanamine (CID 116779537) is 2-[2-(2-ethoxybutan-2-yl)-1,3-thiazol-4-yl]ethanamine.
What is the SMILES notation for 2-[2-(2-ethoxybutan-2-yl)-1,3-thiazol-4-yl]ethanamine?
The canonical SMILES for 2-[2-(2-ethoxybutan-2-yl)-1,3-thiazol-4-yl]ethanamine is CCOC(C)(CC)c1nc(CCN)cs1.
What is the InChIKey of 2-[2-(2-ethoxybutan-2-yl)-1,3-thiazol-4-yl]ethanamine?
The InChIKey is LCMDUAHKRUSBQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2OS/c1-4-11(3,14-5-2)10-13-9(6-7-12)8-15-10/h8H,4-7,12H2,1-3H3.
What are the key properties of 2-[2-(2-ethoxybutan-2-yl)-1,3-thiazol-4-yl]ethanamine?
2-[2-(2-ethoxybutan-2-yl)-1,3-thiazol-4-yl]ethanamine has a molecular weight of 228.36 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-ethoxybutan-2-yl)-1,3-thiazol-4-yl]ethanamine is sourced from PubChem (CID 116779537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).