2-(2-methyl-1,3-thiazol-4-yl)-N-(2-propan-2-yloxyethyl)ethanamine

C11H20N2OS — CID 106045227

IUPAC2-(2-methyl-1,3-thiazol-4-yl)-N-(2-propan-2-yloxyethyl)ethanamine
SMILESCc1nc(CCNCCOC(C)C)cs1
InChIInChI=1S/C11H20N2OS/c1-9(2)14-7-6-12-5-4-11-8-15-10(3)13-11/h8-9,12H,4-7H2,1-3H3
InChIKeyIGDWOEZQXINYBH-UHFFFAOYSA-N
MW228.36 g/mol
LogP2.01
Rot. Bonds7

About 2-(2-methyl-1,3-thiazol-4-yl)-N-(2-propan-2-yloxyethyl)ethanamine

2-(2-methyl-1,3-thiazol-4-yl)-N-(2-propan-2-yloxyethyl)ethanamine (PubChem CID 106045227) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is 2-(2-methyl-1,3-thiazol-4-yl)-N-(2-propan-2-yloxyethyl)ethanamine.

Molecular Properties

Compound Name2-(2-methyl-1,3-thiazol-4-yl)-N-(2-propan-2-yloxyethyl)ethanamine
PubChem CID106045227
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC Name2-(2-methyl-1,3-thiazol-4-yl)-N-(2-propan-2-yloxyethyl)ethanamine
SMILESCc1nc(CCNCCOC(C)C)cs1
InChIInChI=1S/C11H20N2OS/c1-9(2)14-7-6-12-5-4-11-8-15-10(3)13-11/h8-9,12H,4-7H2,1-3H3
InChIKeyIGDWOEZQXINYBH-UHFFFAOYSA-N
XLogP2.01
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-propan-2-yloxyethanamine
CID 61485001
2-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 60760021
N-(2-butoxyethyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 106045200
2,2-difluoro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
CID 106045224
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]nonan-1-amine
CID 106045197
2-methyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]propanoic acid
CID 106035939
methyl 3-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]propanoate
CID 106035988
1-ethoxy-3-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]propan-2-ol
CID 106045106
2-(2-methyl-1,3-thiazol-4-yl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine
CID 106045272
4-[2-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethyl]-1,3-thiazol-2-amine
CID 65485633
2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]propanenitrile
CID 106045354
N'-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-phenylpropane-1,3-diamine
CID 106052557

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1,3-thiazol-4-yl)-N-(2-propan-2-yloxyethyl)ethanamine?
The IUPAC name of 2-(2-methyl-1,3-thiazol-4-yl)-N-(2-propan-2-yloxyethyl)ethanamine (CID 106045227) is 2-(2-methyl-1,3-thiazol-4-yl)-N-(2-propan-2-yloxyethyl)ethanamine.
What is the SMILES notation for 2-(2-methyl-1,3-thiazol-4-yl)-N-(2-propan-2-yloxyethyl)ethanamine?
The canonical SMILES for 2-(2-methyl-1,3-thiazol-4-yl)-N-(2-propan-2-yloxyethyl)ethanamine is Cc1nc(CCNCCOC(C)C)cs1.
What is the InChIKey of 2-(2-methyl-1,3-thiazol-4-yl)-N-(2-propan-2-yloxyethyl)ethanamine?
The InChIKey is IGDWOEZQXINYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2OS/c1-9(2)14-7-6-12-5-4-11-8-15-10(3)13-11/h8-9,12H,4-7H2,1-3H3.
What are the key properties of 2-(2-methyl-1,3-thiazol-4-yl)-N-(2-propan-2-yloxyethyl)ethanamine?
2-(2-methyl-1,3-thiazol-4-yl)-N-(2-propan-2-yloxyethyl)ethanamine has a molecular weight of 228.36 g/mol, XLogP of 2.01, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1,3-thiazol-4-yl)-N-(2-propan-2-yloxyethyl)ethanamine is sourced from PubChem (CID 106045227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).